2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
기본 정보
- CAS
667912-96-1- 표준 SMILES
C=CCn1c(SCC(=O)NCC2CCCO2)nc2sc3c(c2c1=O)CCC(C)C3- InChIKey
KHHJFRQMIPBMPF-UHFFFAOYSA-N- 분자식
- C21H27N3O3S2
- 평균 분자량
- 433.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
- IUPAC
- 2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
- 영어명
- 2-[(3-allyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(tetrahydro-2-furanylmethyl)acetamide
- 분자식
- C21H27N3O3S2
- 분자량
- 433.58738
이름 및 동의어
667912-96-12-{[11-methyl-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}-N-[(oxolan-2-yl)methyl]acetamideF1441-06912-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide2-((3-allyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamideSMSSF-0596526AKOS000811945AKOS016846798UPCMLD0ENAT5711942:001AQ-750/41791285SR-01000263013SR-01000263013-1
이름 더 보기
Z139994632-[(3-allyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(tetrahydro-2-furanylmethyl)acetamideN-[(perhydro-2-furyl)methyl](3-allyl-7-methyl-4-oxo-9-thia-1,3-diaza-3,4,5,6,7,8-hexahydro-2-fluorenylthio)acetamide
데이터베이스 식별자
- CAS
667912-96-1
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 686
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