(4S,5R)-tert-butyl 4-(fluoromethyl)-2,2-dimethyl-5-(4-(3-(methylsulfonamido-methyl)isoxazol-5-yl)phenyl)oxazolidine-3-carboxylate
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1[C@H](CF)[C@@H](c2ccc(-c3cc(CNS(C)(=O)=O)no3)cc2)OC1(C)C- InChIKey
YRWUQPKSVRTDFS-IEBWSBKVSA-N- 분자식
- C22H30FN3O6S
- 평균 분자량
- 483.6 g/mol
이름 및 식별자
- 우선 이름
- (4S,5R)-tert-butyl 4-(fluoromethyl)-2,2-dimethyl-5-(4-(3-(methylsulfonamido-methyl)isoxazol-5-yl)phenyl)oxazolidine-3-carboxylate
- IUPAC
- tert-butyl (4S,5R)-4-(fluoromethyl)-5-[4-[3-(methanesulfonamidomethyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
이름 및 동의어
SCHEMBL15240763YRWUQPKSVRTDFS-IEBWSBKVSA-N(4S,5R)-tert-butyl 4-(fluoromethyl)-2,2-dimethyl-5-(4-(3-(methylsulfonamido-methyl)isoxazol-5-yl)phenyl)oxazolidine-3-carboxylate(4S,5R)-tert-butyl 4-(fluoromethyl)-2,2-dimethyl-5-(4-(3-(methylsulfonamidomethyl)isoxazol-5-yl)phenyl)oxazolidine-3-carboxylate
데이터베이스 식별자
- PubChem CID
- 86695500
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 789
관련 반응
5건
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