2-(4-Methanesulfonyl-piperidin-1-yl)-thiazole-5-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide (HCID 71217367)

기본 정보

표준 SMILES: CS(=O)(=O)C1CCN(c2ncc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)s2)CC1
InChIKey: YTROSAOGNVDWIE-UHFFFAOYSA-N
분자식: C26H25ClN4O4S2
평균 분자량: 557.1 g/mol
단동위원소 질량: 556.1005753

이름 및 식별자

우선 이름: 2-(4-Methanesulfonyl-piperidin-1-yl)-thiazole-5-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide
IUPAC: N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole-5-carboxamide

이름 및 동의어

CHEMBL3679511SCHEMBL14617131YTROSAOGNVDWIE-UHFFFAOYSA-NBDBM100532US8501732, I-922-(4-Methanesulfonyl-piperidin-1-yl)-thiazole-5-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide

데이터베이스 식별자

PubChem CID: 71217367
ChEMBL: CHEMBL3679511

물성

구조 계산 물성

XLogP: 5
극성 표면적: 136 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 6
무거운 원자 수: 37
형식 전하: 0
복잡도: 989

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