기본 정보
- CAS
379243-97-7- 표준 SMILES
CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CSc1nc(C)nc2sc3c(c12)CCC3- InChIKey
DNQXDAMRCRAZPL-UHFFFAOYSA-N- 분자식
- C28H29N3O3S3
- 평균 분자량
- 551.7 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-(4-isopropylphenyl)-2-({[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-D]pyrimidin-4-YL)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
- 영어명
- ethyl 4-(4-isopropylphenyl)-2-({[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
- 분자식
- C28H29N3O3S3
- 분자량
- 551.74316
이름 및 동의어
ETHYL 4-(4-ISOPROPYLPHENYL)-2-({[(2-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-YL)SULFANYL]ACETYL}AMINO)-3-THIOPHENECARBOXYLATEAKOS001062105ST50051368AF-399/40684298Z56884768ethyl 2-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylateethyl 2-[2-(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen- 4-ylthio))acetylamino]-4-[4-(methylethyl)phenyl]thiophene-3-carboxylateethyl 4-(4-isopropylphenyl)-2-({[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
데이터베이스 식별자
- CAS
379243-97-7
물성
구조 계산 물성
- XLogP
- 7.9
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 809
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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