기본 정보
- 표준 SMILES
CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C#CCO)sc21- InChIKey
TTXWTLQWWOYSEL-UHFFFAOYSA-N- 분자식
- C20H17ClN2O3S
- 평균 분자량
- 400.9 g/mol
이름 및 식별자
- 우선 이름
- N-[(4-chlorophenyl)methyl]-7-ethyl-2-(3-hydroxyprop-1-ynyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-7-ethyl-2-(3-hydroxyprop-1-ynyl)-4-oxothieno[2,3-b]pyridine-5-carboxamide
이름 및 동의어
CHEMBL196541SCHEMBL6707876TTXWTLQWWOYSEL-UHFFFAOYSA-NBDBM501725357-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-ethyl-2-(3-hydroxy-1-propynyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-(4-Chlorobenzyl)-7-ethyl-2-(3-hydroxy-1-propynyl)-4-oxo4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-[(4-chlorophenyl)methyl]-7-ethyl-2-(3-hydroxyprop-1-ynyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxamideThieno[2,3-b]pyridine-5-carboxamide, N-[(4-chlorophenyl)methyl]-7-ethyl-4,7-dihydro-2-(3-hydroxy-1-propynyl)-4-oxo-
데이터베이스 식별자
- PubChem CID
- 6483693
- ChEMBL
CHEMBL196541
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 97.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 675
관련 반응
8건
화합물 노트
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