기본 정보
- 표준 SMILES
O=C(NCc1ccc(Cl)cc1)c1cn(CCO)c2sc(C#CCO)cc2c1=O- InChIKey
BNXIDEJNZJEGHM-UHFFFAOYSA-N- 분자식
- C20H17ClN2O4S
- 평균 분자량
- 416.9 g/mol
이름 및 식별자
- 우선 이름
- N-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-oxothieno[2,3-b]pyridine-5-carboxamide
이름 및 동의어
CHEMBL195865SCHEMBL6707971BNXIDEJNZJEGHM-UHFFFAOYSA-NBDBM501725227-(2-Hydroxy-ethyl)-2-(3-hydroxy-prop-1-ynyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid 4-chloro-benzylamideN-(4-Chlorobenzyl)-7-(2-hydroxyethyl)-2-(3-hydroxy-1-propynyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxamideThieno[2,3-b]pyridine-5-carboxamide, N-[(4-chlorophenyl)methyl]-4,7-dihydro-7-(2-hydroxyethyl)-2-(3-hydroxy-1-propynyl)-4-oxo-
데이터베이스 식별자
- PubChem CID
- 6482391
- ChEMBL
CHEMBL195865
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 693
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