기본 정보
- CAS
489451-83-4- 표준 SMILES
CC1CCCC2CCCN(C(=O)c3nn4c(C(F)(F)F)c5c(nc4c3Cl)-c3ccccc3CC5)C12- InChIKey
ZTNJZALUNXLFGO-UHFFFAOYSA-N- 분자식
- C26H26ClF3N4O
- 평균 분자량
- 503 g/mol
이름 및 식별자
- 우선 이름
- (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone
- IUPAC
- [15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
- 영어명
- 11-chloro-10-[(8-methyloctahydro-1(2H)-quinolinyl)carbonyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline
- 분자식
- C26H26ClF3N4O
- 분자량
- 502.9590496
이름 및 동의어
(11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone[11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl](8-methyloctahydroquinolin-1(2H)-yl)methanoneAK-968/15360725AKOS003272991[11-CHLORO-7-(TRIFLUOROMETHYL)-5,6-DIHYDROBENZO[H]PYRAZOLO[5,1-B]QUINAZOLIN-10-YL][8-METHYLOCTAHYDRO-1(2H)-QUINOLINYL]METHANONE[15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone11-chloro-10-[(8-methyloctahydro-1(2H)-quinolinyl)carbonyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline489451-83-4
데이터베이스 식별자
- CAS
489451-83-4
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 50.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 814
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