5-Cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-piperidin-4-yl-amino]-thiophene-2-carboxylic acid methyl ester

HCID 57795362

기본 정보

표준 SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCNCC1
InChIKey
HCPWLJURHZATCV-UHFFFAOYSA-N
분자식
C25H36N2O3S
평균 분자량
444.6 g/mol
단동위원소 질량
444.24466419

이름 및 식별자

우선 이름
5-Cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-piperidin-4-yl-amino]-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]thiophene-2-carboxylate

이름 및 동의어

SCHEMBL2105922SCHEMBL2105924HCPWLJURHZATCV-UAPYVXQJSA-N5-cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-piperidin-4-yl-amino]-thiophene-2-carboxylic acid methyl ester5-cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-piperidin-4-yl-amino]thiophene-2-carboxylic acid methyl ester5-cyclohex-1-enyl-3-[(trans-4-methylcyclohexanecarbonyl)-piperidin-4-yl-amino]-thiophene-2-carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID
57795362

물성

구조 계산 물성

XLogP
5.4
극성 표면적
86.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
31

관련 반응

4건

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