4-Methyl-pyridine-2-carboxylic acid-(1S,2S,5R)-[7-methyl-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide

HCID 25154264
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)c2cc(C)ccn2)c1
InChIKey
QSHQYWISMNDDBF-KOLHQMHQSA-N
분자식
C28H32N4O2S
평균 분자량
488.6 g/mol

이름 및 식별자

우선 이름
4-Methyl-pyridine-2-carboxylic acid-(1S,2S,5R)-[7-methyl-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide
IUPAC
N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-4-methylpyridine-2-carboxamide

이름 및 동의어

SCHEMBL496178QSHQYWISMNDDBF-KOLHQMHQSA-N4-Methyl-pyridine-2-carboxylic acid-(1S,2S,5R)-[7-methyl-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide

데이터베이스 식별자

PubChem CID
25154264

물성

구조 계산 물성

XLogP
5.4
극성 표면적
103 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
35

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