기본 정보
- 표준 SMILES
CC1(C)O[C@H](c2ccc(-c3ccc(COS(C)(=O)=O)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F- InChIKey
IBVOABCJTQCXOP-QZTJIDSGSA-N- 분자식
- C21H23F3N2O5S
- 평균 분자량
- 472.5 g/mol
- 단동위원소 질량
- 472.1279775
이름 및 식별자
- 우선 이름
- Methanesulfonic acid 5-{4-[(4S,5R)-3-(2,2-difluoro-acetyl)-4-fluoromethyl-2,2-dimethyl-oxazolidin-5-yl]-phenyl}-pyridin-2-ylmethyl ester
- IUPAC
- [5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate
이름 및 동의어
Methanesulfonic acid 5-{4-[(4S,5R)-3-(2,2-difluoro-acetyl)-4-fluoromethyl-2,2-dimethyl-oxazolidin-5-yl]-phenyl}-pyridin-2-ylmethyl esterSCHEMBL15239572methane sulfonic acid 5-{4-[(4S,5R)-3-(2,2-difluoro-acetyl)-4-fluoromethyl-2,2-dimethyl-oxazolidin-5-yl]-phenyl}-pyridin-2-ylmethyl esterMethanesulfonic acid 5-{4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-fluoromethyl-2,2-dimethyl-oxazolidin-5-yl]-phenyl}-pyridin-2-ylmethyl ester
데이터베이스 식별자
- PubChem CID
- 86695429
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 94.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 753
관련 반응
9건
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