기본 정보
- 표준 SMILES
CN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2- InChIKey
FFDVONMXYFIBBI-UHFFFAOYSA-N- 분자식
- C19H19ClFN3O4
- 평균 분자량
- 407.8 g/mol
- 단동위원소 질량
- 407.104812
이름 및 식별자
- 우선 이름
- 6-[(3-chloro-4-fluoro-phenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
- IUPAC
- 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
이름 및 동의어
865298-81-32,6-Naphthyridine-1-carboxamide, 6-[(3-chloro-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-6-[(3-chloro-4-fluoro-phenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamideorb3210883SCHEMBL4479511SCHEMBL31060990FFDVONMXYFIBBI-UHFFFAOYSA-N6-(3-chloro-4-fluoro-benzyl)-4-hydroxy-2-methyl-3,5-dioxo-2,3,5,6,7,8-hexahydro-[2,6]naphthyridine-1-carboxylic acid dimethylamide6-(3-Chloro-4-fluorobenzyl)-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide
데이터베이스 식별자
- PubChem CID
- 54692271
- Nikkaji
- J2.657.953H
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 81.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 779
관련 반응
5건
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