2-Isopropyl-4-methyl-thiazole-5-carboxylic acid methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amide

HCID 67424144
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기본 정보

표준 SMILES
Cc1nc(C(C)C)sc1C(=O)N(C)C1CCC2(C)C(=CCC3C2CCC24CN(C)C(C)C2CCC34)C1
InChIKey
GMKQMAZTEHUZPB-UHFFFAOYSA-N
분자식
C31H47N3OS
평균 분자량
509.8 g/mol
단동위원소 질량
509.3439843

이름 및 식별자

우선 이름
2-Isopropyl-4-methyl-thiazole-5-carboxylic acid methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amide
IUPAC
N,4-dimethyl-2-propan-2-yl-N-(6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl)-1,3-thiazole-5-carboxamide

이름 및 동의어

SCHEMBL2480635GMKQMAZTEHUZPB-UHFFFAOYSA-N2-Isopropyl-4-methyl-thiazole-5-carboxylic acid methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amide2-Isopropyl-4-methyl-thiazole-5-carboxylic acid methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amide

데이터베이스 식별자

PubChem CID
67424144

물성

구조 계산 물성

XLogP
6.9
극성 표면적
64.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
36

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