기본 정보
- CAS
315239-22-6- 표준 SMILES
C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2sc3c(c2c1=O)CCCC3- InChIKey
KHDDARNVCAIAPZ-UHFFFAOYSA-N- 분자식
- C22H22N2O3S2
- 평균 분자량
- 426.6 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
- IUPAC
- methyl 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
- 영어명
- methyl 4-(((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate
- 분자식
- C22H22N2O3S2
- 분자량
- 426.55
이름 및 동의어
315239-22-6methyl 4-(((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoatemethyl 4-({[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}methyl)benzoatemethyl 4-[(4-oxo-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyr imidin-2-ylthio)methyl]benzoatemethyl 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoateOprea1_477303Oprea1_577768SBB083705STK837610AKOS000532091EU-0073000ST50032249
이름 더 보기
Benzoic acid, 4-[[[3,4,5,6,7,8-hexahydro-4-oxo-3-(2-propen-1-yl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]methyl]-, methyl ester
AF-399/15128756SR-01000446386SR-01000446386-1F0844-0007methyl 4-({[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoatemethyl 4-{[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
데이터베이스 식별자
- CAS
315239-22-6
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 675
화학 및 산업
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