ethyl 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
445383-59-5- 표준 SMILES
CCOC(=O)c1c(NC(=O)CSc2nc3c(c(-c4ccc(OC)cc4)c2C#N)CCC3)sc2c1CCCC2- InChIKey
KCGJFYJFUUIXDD-UHFFFAOYSA-N- 분자식
- C29H29N3O4S2
- 평균 분자량
- 547.7 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-[({[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C29H29N3O4S2
- 분자량
- 547.69
이름 및 동의어
445383-59-5ethyl 2-(2-((3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-[({[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAM-807/14147477ethyl 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSTK548323AKOS003680776Benzo[b]thiophene-3-carboxylic acid, 2-[[2-[[3-cyano-6,7-dihydro-4-(4-methoxyphenyl)-5H-cyclopenta[b]pyridin-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
데이터베이스 식별자
- CAS
445383-59-5
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 888
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