기본 정보
- CAS
439111-35-0- 표준 SMILES
Cc1cc(C)c2c(n1)sc1c(SCc3cccc(C(F)(F)F)c3)nc(SCc3ccc(Cl)cc3)nc12- InChIKey
QROMBZXVGBDCSH-UHFFFAOYSA-N- 분자식
- C26H19ClF3N3S3
- 평균 분자량
- 562.1 g/mol
이름 및 식별자
- 우선 이름
- 4-Chlorobenzyl 7,9-dimethyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide
- IUPAC
- 4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
- 영어명
- 2-[(4-Chlorobenzyl)sulfanyl]-7,9-dimethyl-4-([3-(trifluoromethyl)benzyl]sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
- 분자식
- C26H19ClF3N3S3
- 분자량
- 562.09
이름 및 동의어
439111-35-04-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene4-chlorobenzyl 7,9-dimethyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaeneAKOS0050990486R-13214-CHLOROBENZYL 7,9-DIMETHYL-4-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-2-YL SULFIDE2-[(4-Chlorobenzyl)sulfanyl]-7,9-dimethyl-4-([3-(trifluoromethyl)benzyl]sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidinePyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2-[[(4-chlorophenyl)methyl]thio]-7,9-dimethyl-4-[[[3-(trifluoromethyl)phenyl]methyl]thio]-
데이터베이스 식별자
- CAS
439111-35-0
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 726
물리화학적 성질
- 끓는 점
- 694 · 694.0±65.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.77 · 1.77±0.50(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…