기본 정보
- CAS
1984862-45-4- 표준 SMILES
FC(F)(F)c1cc(NC(=S)N[C@@H]2CCCC[C@H]2N2Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)cc(C(F)(F)F)c1- InChIKey
NBHCLYDPDKSHJN-ROJLCIKYSA-N- 분자식
- C37H31F6N3S
- 평균 분자량
- 663.7 g/mol
- 단동위원소 질량
- 663.21428815
이름 및 식별자
- 우선 이름
- N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]thiourea
- IUPAC
- 1-[(1R,2R)-2-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
- 영어명
- N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1R,2R)-2-(11bS)3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-thiourea
- 분자식
- C37H31F6N3S
- 분자량
- 663.72
이름 및 동의어
1040235-96-8N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]thiourea1984862-45-4N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-[(11bS)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]thioureaMFCD30541677(11bR)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepin-4-yl)cyclohexyl)thioureaN-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1R,2R)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c(11bS)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepin-4-yl)cyclohexyl)thiourea1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepin-4-yl)cyclohexyl)thioureaN-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]thiourea, 98%, (99% ee)1-[(1R,2R)-2-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea3-[(1R,2R)-2-{13-azapentacyclo[13.8.0.0(2),(1)(1).0(3),?.0(1)?,(2)(3)]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl}cyclohexyl]-1-[3,5-bis(trifluoromethyl)phenyl]thiourea
이름 더 보기
Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-[(11bS)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-
C37H31F6N3S[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-SCHEMBL19797783yl]cyclohexyl]thiourea,99%e.e.NBHCLYDPDKSHJN-ROJLCIKYSA-NN-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1R,2R)-2-(11bS)3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-thiourea1-((1R,2R)-2-(3H-Dinaphtho[2,1-c:1',2'-e]azepin-4(5H)-yl)cyclohexyl)-3-(3,5-bis(trifluoromethyl)phenyl)thioureaAS-82368
데이터베이스 식별자
- CAS
1984862-45-4- PubChem CID
- 101478019
- Nikkaji
- J2.618.352I、J2.739.892H
물성
구조 계산 물성
- XLogP
- 9.9
- 극성 표면적
- 59.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- 끓는 점
- 697.4 · 697.4±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, protect from light, stored under nitrogen
- 산도 계수 (pKa)
- 11.76 · 11.76±0.70(Predicted)
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…