기본 정보
- CAS
1169707-29-2- 표준 SMILES
C[C@@H](N/C(=C\C(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F)c1ccccc1- InChIKey
ARABQUBUKONQTQ-RQNDZEIBSA-N- 분자식
- C24H21F6N5O
- 평균 분자량
- 509.4 g/mol
- 단동위원소 질량
- 509.16502928
이름 및 식별자
- 우선 이름
- (Z)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
- IUPAC
- (Z)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
- 영어명
- (2Z)-1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-[[(1R)-1-phenylethyl]amino]-4-(2,4,5-trifluorophenyl)-2-buten-1-one
- 분자식
- C24H21F6N5O
- 분자량
- 509.45
이름 및 동의어
1169707-29-2(Z)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one(R,Z)-3-((1-Phenylethyl)amino)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-oneSCHEMBL3103820ARABQUBUKONQTQ-RQNDZEIBSA-NCID 510016101-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-[[(1R)-1-phenylethyl]amino]-4-(2,4,5-trifluorophenyl)-2-buten-1-one(2Z)-1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-[[(1R)-1-phenylethyl]amino]-4-(2,4,5-trifluorophenyl)-2-buten-1-one2-Buten-1-one, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-[[(1R)-1-phenylethyl]amino]-4-(2,4,5-trifluorophenyl)-, (2Z)-
데이터베이스 식별자
- CAS
1169707-29-2- PubChem CID
- 51001610
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 63.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 791
물리화학적 성질
- 밀도
- 1.41 · 1.41
화학 및 산업
공급사6 곳
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