기본 정보
- CAS
379256-81-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)sc2c1CCC(C)C2- InChIKey
WQDKSLPHRLQDBR-UHFFFAOYSA-N- 분자식
- C29H29N3O4S3
- 평균 분자량
- 579.8 g/mol
- 단동위원소 질량
- 579.13201994
이름 및 식별자
- 우선 이름
- ethyl 6-methyl-2-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 6-methyl-2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 6-methyl-2-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C29H29N3O4S3
- 분자량
- 579.75326
이름 및 동의어
ethyl 6-methyl-2-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAKOS001053338AKOS016074371UPCMLD0ENAT0513-7937:001ST50051059AF-399/15392081Z18649154ethyl 6-methyl-2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 6-methyl-2-[2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimid ino[4,5-b]thiophen-2-ylthio))acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene- 3-carboxylate
데이터베이스 식별자
- CAS
379256-81-2- PubChem CID
- 3430544
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 170 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 989
화학 및 산업
공급사2 곳
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
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