(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-({5-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxypyridin-3-yl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl}methyl)-4-methyl-1,3-oxazolidin-2-one

HCID 71812193
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ncc(-c2sc(C)nc2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIKey
QJDLDODDJKTJEY-MQNRADLISA-N
분자식
C31H27F7N6O3S
평균 분자량
696.6 g/mol
단동위원소 질량
696.17535705

이름 및 식별자

우선 이름
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-({5-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxypyridin-3-yl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl}methyl)-4-methyl-1,3-oxazolidin-2-one
IUPAC
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

이름 및 동의어

(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-({5-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxypyridin-3-yl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl}methyl)-4-methyl-1,3-oxazolidin-2-oneCHEMBL3913846SCHEMBL16650647BDBM234607US9353101, 3

데이터베이스 식별자

PubChem CID
71812193
ChEMBL
CHEMBL3913846

물성

구조 계산 물성

XLogP
6.4
극성 표면적
122 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
16
회전 가능 결합 수
7
무거운 원자 수
48

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…