기본 정보
- 표준 SMILES
CC(c1nc(-c2ccc(C#N)cc2)cs1)C(O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
OPAHEYNNJWPQPX-UHFFFAOYSA-N- 분자식
- C22H17F2N5OS
- 평균 분자량
- 437.5 g/mol
이름 및 식별자
- 우선 이름
- 4-[2-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
- IUPAC
- 4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
이름 및 동의어
170864-29-64-[2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrileRavuconazole-d4OPAHEYNNJWPQPX-UHFFFAOYSA-NREVUCONAZOLESCHEMBL9390251329499-27-5EDC49927AKOS015910001DB-0860993-[4-(4-Cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol4-[2-[2-(2,4-Difluorophenyl)-2-Hydroxy-1-Methyl-3-(1H-1,2,4-Triazol-1-Yl)Propyl]-4-Thiazolyl]-Benzonitrile
이름 더 보기
4-[2-[2-(2,4-Difluorophenyl)-2-Hydroxy-1-Methyl-3-(1H-1,2,4-Triazol-1-ylPropyl]-4-Thiazolyl]-Benzonitrileracemic 3-[4-(4-cyanophenyl)thiazol-2-yl]-1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-butan-2-ol
데이터베이스 식별자
- PubChem CID
- 9845922
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 657
관련 반응
4건
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