기본 정보
- CAS
325693-61-6- 표준 SMILES
COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1- InChIKey
VOTFCSREZQUBFN-UHFFFAOYSA-N- 분자식
- C25H22N2O3S2
- 평균 분자량
- 462.6 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
- IUPAC
- methyl 4-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
- 영어명
- methyl 4-(((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate
- 분자식
- C25H22N2O3S2
- 분자량
- 462.58
이름 및 동의어
325693-61-66072-24-8methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate4-(4-Oxo-3-phenyl-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid methyl estermethyl 4-(((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoateF0739-0005methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]methyl}benzoateCBMicro_044385DTXSID60365546SMSSF-0060490SBB071742STL079445
이름 더 보기
Benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenyl[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]methyl]-, methyl ester
AKOS001018323methyl 4-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoateBIM-0044351.P001SR-01000441989SR-01000441989-1Z19583287methyl 4-[(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidi n-2-ylthio)methyl]benzoatemethyl p-[(4-oxo-3-phenyl-9-thia-1,3-diaza-3,4,5,6,7,8-hexahydro-2-fluorenylthio)methyl]benzoate
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 731
화학 및 산업
공급사1 곳
济南思考化学有限公司0531-0000 · [email protected]
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