기본 정보
- CAS
489451-38-9- 표준 SMILES
Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1nn2c(C(F)(F)F)c3c(nc2c1Cl)-c1ccccc1CC3- InChIKey
HPKFWTCIHKAYIF-UHFFFAOYSA-N- 분자식
- C34H26ClF3N6O2
- 평균 분자량
- 643.1 g/mol
- 단동위원소 질량
- 642.1757863
이름 및 식별자
- 우선 이름
- 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
- IUPAC
- 15-chloro-N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
- 영어명
- 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
- 분자식
- C34H26ClF3N6O2
- 분자량
- 643.0574496
이름 및 동의어
11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide11-chloro-N-(3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamideAK-968/15360638AKOS00327303311-chloro-N-{3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide15-chloro-N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide489451-38-9
데이터베이스 식별자
- CAS
489451-38-9- PubChem CID
- 3592480
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 86.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,070
화학 및 산업
공급사1 곳
SPECS[email protected]
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