기본 정보
- 표준 SMILES
CCc1sc(-c2ccc(C(=O)OC)cc2C)nc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C- InChIKey
DEYOGTDBXNDAIL-HPGBDJQBSA-N- 분자식
- C34H27F9N2O4S
- 평균 분자량
- 730.6 g/mol
이름 및 식별자
- 우선 이름
- methyl 4-{4-[2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-(trifluoromethyl)phenyl]-5-ethyl-1,3-thiazol-2-yl}-3-methylbenzoate
- IUPAC
- methyl 4-[4-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-5-ethyl-1,3-thiazol-2-yl]-3-methylbenzoate
이름 및 동의어
methyl 4-{4-[2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-(trifluoromethyl)phenyl]-5-ethyl-1,3-thiazol-2-yl}-3-methylbenzoateSCHEMBL1528944
데이터베이스 식별자
- PubChem CID
- 25010233
물성
구조 계산 물성
- XLogP
- 9.4
- 극성 표면적
- 97 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,180
관련 반응
2건
화합물 노트
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