3-[(trans-4-Methyl-cyclohexanecarbonyl)-(1-oxo-hexahydro-1lambda*4*-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

HCID 69288447
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCS(=O)CC1
InChIKey
RMVNVJVCNHTDFT-UHFFFAOYSA-N
분자식
C25H31NO4S2
평균 분자량
473.7 g/mol
단동위원소 질량
473.16945082

이름 및 식별자

우선 이름
3-[(trans-4-Methyl-cyclohexanecarbonyl)-(1-oxo-hexahydro-1lambda*4*-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 3-[(4-methylcyclohexanecarbonyl)-(1-oxothian-4-yl)amino]-5-phenylthiophene-2-carboxylate

이름 및 동의어

SCHEMBL5036851RMVNVJVCNHTDFT-XUVRHTQISA-N3-[(trans-4-methyl-cyclohexanecarbonyl)-(1-oxo-hexahydro-1lambda*4*-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester3-[(trans-4-methyl-cyclohexanecarbonyl)-(1-oxo-hexahydro-llambda*4*-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester3-[(trans-4-methyl-cyclohexanecarbonyl)-(1-oxo-tetrahydro-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID
69288447

물성

구조 계산 물성

XLogP
4.7
극성 표면적
111 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
32

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