기본 정보
- CAS
329227-23-8- 표준 SMILES
Cc1nc(SCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c2c3c(sc2n1)CCC3- InChIKey
RBRRCAOZICRZAR-UHFFFAOYSA-N- 분자식
- C25H22F3N3OS2
- 평균 분자량
- 501.6 g/mol
이름 및 식별자
- 우선 이름
- 1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
- IUPAC
- 1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone
- 영어명
- 1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
- 분자식
- C25H22F3N3OS2
- 분자량
- 501.59
이름 및 동의어
1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoneAKOS001052199UPCMLD0ENAT0513-8026:001ST50051116AF-399/15392117SR-01000477079SR-01000477079-1Z202333921-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone1-{2,5-DIMETHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROL-3-YL}-2-[(2-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-YL)SULFANYL]-1-ETHANONE1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]ethanone1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl}-2-(2-methyl(5,6,7-tr ihydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-ylthio))ethan-1-one
이름 더 보기
Ethanone, 2-[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 755
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.43 · 1.43±0.20(Predicted)
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