((2R*,5R*)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester

HCID 86716533
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기본 정보

표준 SMILES
C[C@H]1N=C(NC(=O)OC(C)(C)C)[C@](C)(C(F)(F)F)OC1c1cccc(NC(=O)c2ccc(Br)cn2)c1
InChIKey
RTZAZOLWZDNMMY-FQFZBXHGSA-N
분자식
C24H26BrF3N4O4
평균 분자량
571.4 g/mol

이름 및 식별자

우선 이름
((2R*,5R*)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[(3R,6R)-2-[3-[(5-bromopyridine-2-carbonyl)amino]phenyl]-3,6-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-5-yl]carbamate

이름 및 동의어

RTZAZOLWZDNMMY-FQFZBXHGSA-N((2R*,5R*)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-tri-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester((2R*,5R*)-6-{3-[(5-bromo-pyridine-2-carbonyl)-amino]-phenyl}-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
86716533

물성

구조 계산 물성

XLogP
4.3
극성 표면적
102 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
36

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