기본 정보
- CAS
325693-38-7- 표준 SMILES
C=CCn1c(SCc2ccc(C(=O)NCCCO)cc2)nc2sc3c(c2c1=O)CCCC3- InChIKey
GEDVJJVORLIEND-UHFFFAOYSA-N- 분자식
- C24H27N3O3S2
- 평균 분자량
- 469.6 g/mol
- 단동위원소 질량
- 469.14938408
이름 및 식별자
- 우선 이름
- N-(3-hydroxypropyl)-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
- IUPAC
- N-(3-hydroxypropyl)-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
- 영어명
- 4-(((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide
- 분자식
- C24H27N3O3S2
- 분자량
- 469.62
이름 및 동의어
325693-38-74-(((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamideN-(3-hydroxypropyl)-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)benzamideChemDiv1_004656N-(3-hydroxypropyl)-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamideHMS600D14STL079609AKOS000532245ST50032145AF-399/14425115SR-01000443856SR-01000443856-1
이름 더 보기
Benzamide, 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]-N-(3-hydroxypropyl)-
Z56798289F0753-00304-{[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N-(3-hydroxypropyl)benzamideN-(3-hydroxypropyl)-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)benzamideN-(3-hydroxypropyl){4-[(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thioph eno[2,3-d]pyrimidin-2-ylthio))methyl]phenyl}carboxamide
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 723
물리화학적 성질
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.43 · 14.43±0.46(Predicted)
화학 및 산업
공급사1 곳
济南思考化学有限公司0531-0000 · [email protected]
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