1-{3-[2-(7-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]-3-methylbutyl}-4,4-diethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one
기본 정보
- 표준 SMILES
CCC1(CC)OC(=O)N(CCC(C)(C)NCC(O)c2cc(OCc3ccccc3)cc3[nH]c(=O)ccc23)c2ccccc21- InChIKey
BBOUIPPCPMCIPI-UHFFFAOYSA-N- 분자식
- C35H41N3O5
- 평균 분자량
- 583.7 g/mol
이름 및 식별자
- 우선 이름
- 1-{3-[2-(7-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]-3-methylbutyl}-4,4-diethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one
- IUPAC
- 4,4-diethyl-1-[3-[[2-hydroxy-2-(2-oxo-7-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-3-methylbutyl]-3,1-benzoxazin-2-one
이름 및 동의어
SCHEMBL631335BBOUIPPCPMCIPI-UHFFFAOYSA-N1-{3-[2-(7-benzyloxy-2-oxo-1,2-dihydro-quinolin-5-yl)-2-hydroxy-ethylamino]-3-methyl-butyl}-4,4-diethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one1-{3-[2-(7-benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]-3-methylbutyl}-4,4-diethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one1-{3-[2-(7-benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]-3-methylbutyl}-4,4-diethyl-1,4dihydrobenzo[d][1,3]oxazin-2-one
데이터베이스 식별자
- PubChem CID
- 21072813
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 975
관련 반응
6건
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