N~2~-{2-Chloro-4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-N~2~,N~8~-Dimethyl-4,5-Dihydrothieno[3,2-D][1]benzoxepine-2,8-Dicarboxamide

HCID 44242776

기본 정보

표준 SMILES
CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccc(C(=O)N4CCN(C)CC4)cc3Cl)sc1-2
InChIKey
TVUWQOATJJJPPP-UHFFFAOYSA-N
분자식
C28H29ClN4O4S
평균 분자량
553.1 g/mol

이름 및 식별자

우선 이름
N~2~-{2-Chloro-4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-N~2~,N~8~-Dimethyl-4,5-Dihydrothieno[3,2-D][1]benzoxepine-2,8-Dicarboxamide
IUPAC
2-N-[2-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]-2-N,8-N-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide

이름 및 동의어

CHEMBL1950037N~2~-{2-Chloro-4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-N~2~,N~8~-Dimethyl-4,5-Dihydrothieno[3,2-D][1]benzoxepine-2,8-DicarboxamideSCHEMBL989930TVUWQOATJJJPPP-UHFFFAOYSA-NBDBM50419772Q274541193T8N2-(2-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl)-N2,N8-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

데이터베이스 식별자

PubChem CID
44242776
ChEMBL
CHEMBL1950037

물성

구조 계산 물성

XLogP
3.8
극성 표면적
110 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
38

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