5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
기본 정보
- 표준 SMILES
Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4c(C)noc4C)c(Cl)c3C2=O)c(=O)[nH]1- InChIKey
PDKDOPJQPKXNCT-UHFFFAOYSA-N- 분자식
- C22H21Cl2N3O3
- 평균 분자량
- 446.3 g/mol
- 단동위원소 질량
- 445.0959969
이름 및 식별자
- 우선 이름
- 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
이름 및 동의어
1616287-82-1PF-067263045,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-oneCHEMBL39110175,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one5,8-Dichloro-2-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-7-(3,5-dimethylisoxazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-oneC22H21Cl2N3O3orb1309262SCHEMBL15813960SCHEMBL29408702SCHEMBL29408704PDKDOPJQPKXNCT-UHFFFAOYSA-N
이름 더 보기
EX-A6650RPC28782BDBM50193709MFCD31563584s8494AKOS040734425AT16259CCG-269189
데이터베이스 식별자
- PubChem CID
- 86723730
- ChEMBL
CHEMBL3911017- Nikkaji
- J3.548.889H
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 75.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 798
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