기본 정보
- CAS
848469-29-4- 표준 SMILES
C[C@@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cnc(Cl)n1)c1ccc(F)cc1F.Cl- InChIKey
VTOATALLNGPGSU-AXXYFNQRSA-N- 분자식
- C16H13Cl3F3N5O
- 평균 분자량
- 454.7 g/mol
- 단동위원소 질량
- 453.013778
이름 및 식별자
- 우선 이름
- (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)butan-2-ol;hydrochloride
- IUPAC
- (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)butan-2-ol;hydrochloride
- 영어명
- 3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
- 분자식
- C16H12Cl2F3N5O.ClH
- 분자량
- 454.66
이름 및 동의어
AKOS025401487AC-19913-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-ifluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-butan-2-ol3-(6-chloro-5-fluoro-4-pyrimidinyl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-2-butanol hydrochloride(R*,S*)-3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(3-chloro-1H-1,2,4-triazol-1-yl)butan-2-ol hydrochlorideFAVORITES COMPARE 3-(6-CHLORO-5-FLUOROPYRIMIDIN-4-YL)-2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL CAS 848469-29-46-Chloro-a-[(3-chloro-1H-1,2,4-triazol-1-yl)methyl]-a-(2,4-difluorophenyl)-5-fluoro-beta-methyl-4-pyrimidineethanol hydrochloride4-Pyrimidineethanol,6-chloro-α-[(3-chloro-1H-1,2,4-triazol-1-yl)methyl]-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-, hydrochloride (1:1), (αR,βS)-rel-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 76.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 513
화학 및 산업
공급사14 곳
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