4-(2-chloro-3-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3 (4H)-yl)phenyl)-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
기본 정보
- 표준 SMILES
Cn1c(=O)n(-c2cccc(-c3c(F)cc(C(N)=O)c4[nH]c5cc(C(C)(C)O)ccc5c34)c2Cl)c(=O)c2cccc(F)c21- InChIKey
CACKWDPMBIYJAG-UHFFFAOYSA-N- 분자식
- C31H23ClF2N4O4
- 평균 분자량
- 589 g/mol
- 단동위원소 질량
- 588.1375892
이름 및 식별자
- 우선 이름
- 4-(2-chloro-3-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3 (4H)-yl)phenyl)-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
- IUPAC
- 4-[2-chloro-3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
이름 및 동의어
CHEMBL3912426SCHEMBL16320099CACKWDPMBIYJAG-UHFFFAOYSA-N4-(2-chloro-3-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3 (4H)-yl)phenyl)-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide4-(2-chloro-3-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)phenyl)-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
데이터베이스 식별자
- PubChem CID
- 86343628
- ChEMBL
CHEMBL3912426
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,100
관련 반응
1건
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