N-[3-(2-Methylaminoethoxy)-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
기본 정보
- CAS
170230-44-1- 표준 SMILES
CNCCOc1cc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)ccc1OC- InChIKey
BYVIZYBJJSJAPK-UHFFFAOYSA-N- 분자식
- C27H28N4O4
- 평균 분자량
- 472.5 g/mol
- 단동위원소 질량
- 472.21105539
이름 및 식별자
- 우선 이름
- N-[3-(2-Methylaminoethoxy)-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
- IUPAC
- N-[4-methoxy-3-[2-(methylamino)ethoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
- 영어명
- SB 216641 hydrochloride
- 분자식
- C28H31ClN4O4
- 분자량
- 523.02
이름 및 동의어
170230-44-1N-[3-(2-Methylaminoethoxy)-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamideSCHEMBL6920742BYVIZYBJJSJAPK-UHFFFAOYSA-NDTXSID001105263N-[4-Methoxy-3-[2-(methylamino)ethoxy]phenyl]-2a(2)-methyl-4a(2)-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1a(2)-biphenyl]-4-carboxamideSB 216641 hydrochloride[1,1'-Biphenyl]-4-carboxamide, N-[4-methoxy-3-[2-(methylamino)ethoxy]phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[3-(DIMETHYLAMINO)ETHOXY]-4-METHOXYPHENYL]-2'-METHYL-4'-(5-METHYL-1,2,4-OXADIAZOL-3-YL)-[1,1'-BIPHENYL]-4-CARBOXAMIDE HYDROCHLORIDE
데이터베이스 식별자
- CAS
170230-44-1- PubChem CID
- 18672663
- DTXSID
DTXSID001105263
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 98.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 659
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