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]urea
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기본 정보
- CAS
1069115-56-5- 표준 SMILES
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCCC[C@H]1N1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1- InChIKey
BDXWHNAYVACKSW-ROJLCIKYSA-N- 분자식
- C37H31F6N3O
- 평균 분자량
- 647.6 g/mol
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]urea
- 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]urea
- 영어명
- 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]-Urea
- 분자식
- C37H31F6N3O
- 분자량
- 647.65
이름 및 동의어
1069115-56-5N-[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]ureaN-[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]urea, 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]urea1',2'-e]azepin-4-yl]cyclohexyl]-UreaAS-85158SY254436CS-0092882H414871-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepin-4-yl)cyclohexyl)urea1-[(1R,2R)-2-(3H-Dinaphtho[2,1-c:1 inverted exclamation mark ,2 inverted exclamation mark -e]azepin-4(5H)-yl)cyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]ureaN-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c
이름 더 보기
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]-UreaN-[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]urea,99%e.e.Urea, 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]-
물성
구조 계산 물성보충 중
- XLogP
- 9.3
- 극성 표면적
- 44.4 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
- 690 · 690.0±55.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.99 · 12.99±0.40(Predicted)
관련 반응
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