기본 정보
- 표준 SMILES
Cl.N[C@H]1CCN(c2ccc(N3C[C@H](CN(C(=O)OCC(Cl)(Cl)Cl)c4ccon4)OC3=O)cc2F)C1- InChIKey
FENPMMRIOXXDDU-DSHXVJGRSA-N- 분자식
- C20H22Cl4FN5O5
- 평균 분자량
- 573.2 g/mol
- 단동위원소 질량
- 571.035908
이름 및 식별자
- 우선 이름
- 3-(4(3(S) aminopyrrolidin-1-yl)-3-fluorophenyl)-5(R)-(N-(2,2,2-trichloroethyloxycarbonyl)isoxazol-3-ylaminomethyl)oxazolidin-2-one hydrochloride salt
- IUPAC
- 2,2,2-trichloroethyl N-[[(5R)-3-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate;hydrochloride
이름 및 동의어
SCHEMBL5834140FENPMMRIOXXDDU-DSHXVJGRSA-N3-(4(3(S) aminopyrrolidin-1-yl)-3-fluorophenyl)-5(R)-(N-(2,2,2-trichloroethyloxycarbonyl)isoxazol-3-ylaminomethyl)oxazolidin-2-one hydrochloride salt3-(4-(3(S) -aminopyrrolidin-1-yl)-3-fluorophenyl)-5(R)-(N-(2,2,2-trichloroethyloxycarbonyl)isoxazol-3-ylaminomethyl)oxazolidin-2-one hydrochloride salt3-(4-(3(s)-aminopyrrolidin-1-yl)-3-fluorophenyl)-5(r)-(n-(2,2,2-trichloroethyl-oxycarbonyl)isoxazol-3-ylaminomethyl)oxazolidin-2-one hydrochloride salt3-(4-(3(s)-aminopyrrolidin-1-yl)-3-fluorophenyl)-5(r)-(n-(2,2,2-trichloroethyloxycarbonyl)isoxazol-3-ylaminomethyl)oxazolidin-2-one hydrochloride salt
데이터베이스 식별자
- PubChem CID
- 69584925
물성
구조 계산 물성
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 750
관련 반응
9건
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