기본 정보
- CAS
332393-02-9- 표준 SMILES
COc1ccc(-n2c(SC(c3ccccc3)c3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1- InChIKey
DRQWZZQDDJVMQP-UHFFFAOYSA-N- 분자식
- C31H28N2O3S2
- 평균 분자량
- 540.7 g/mol
- 단동위원소 질량
- 540.15413511
이름 및 식별자
- 우선 이름
- 2-Benzhydrylsulfanyl-3-(4-methoxyphenyl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
- IUPAC
- 5-benzhydrylsulfanyl-4-(4-methoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
- 영어명
- 2-(benzhydrylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
- 분자식
- C31H28N2O3S2
- 분자량
- 540.7
이름 및 동의어
332393-02-92-benzhydrylsulfanyl-3-(4-methoxyphenyl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-oneSTK698991AKOS0005502132-(benzhydrylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one5-Benzhydrylsulfanyl-4-(4-methoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-oneST50254423AJ-292/133302782-(benzhydrylthio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one2-(diphenylmethylthio)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6-trihydro-8H-pyri midino[5',4'-4,5]thiopheno[2,3-c]pyran-4-one2-[(diphenylmethyl)sulfanyl]-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one4H-Pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-[(diphenylmethyl)thio]-3,5,6,8-tetrahydro-3-(4-methoxyphenyl)-6,6-dimethyl-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 843
물리화학적 성질
- 끓는 점
- 721.9 · 721.9±70.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.13 · -0.13±0.40(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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