기본 정보
- 표준 SMILES
Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)sc21- InChIKey
WRWZKICFIPWGNY-UHFFFAOYSA-N- 분자식
- C21H22ClN3O3S
- 평균 분자량
- 431.9 g/mol
- 단동위원소 질량
- 431.1070404
이름 및 식별자
- 우선 이름
- N-(4-chlorobenzyl)-7-methyl-2-(4-morpholinylmethyl)-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxamide
이름 및 동의어
n-(4-chlorobenzyl)-7-methyl-2-(4-morpholinylmethyl)-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxamideN-(4-Chlorobenzyl)-7-methyl-2-(4-morpholinylmethyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideCMMODTPC cpdRefChem:926852UNII-R4UJ6H32NNR4UJ6H32NNPNU-243672A free basePHA-243672PHA243672CHEMBL440033292144-10-6N-(4-Chlorobenzyl)-7-methyl-2-((morpholin-4-yl)methyl)-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxamide
이름 더 보기
Thieno(2,3-b)pyridine-5-carboxamide, N-((4-chlorophenyl)methyl)-4,7-dihydro-7-methyl-2-(4-morpholinylmethyl)-4-oxo-N-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxamideSCHEMBL6363622WRWZKICFIPWGNY-UHFFFAOYSA-NBDBM50172514PNU-2436727-Methyl-2-morpholin-4-ylmethyl-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid 4-chloro-benzylamide7-Methyl-2-morpholin-4-ylmethyl-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid, 4-chloro-benzylamide
데이터베이스 식별자
- CAS
292144-10-6- PubChem CID
- 503580
- ChEMBL
CHEMBL440033- UNII
- R4UJ6H32NN
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 90.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 647
관련 반응
5건
연결된 노트
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