[(2R,5S)-5-(6-Amino-3-fluoro-pyridin-2-yl)-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester (HCID 68108222)

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC1=N[C@@](C)(c2nc(N)ccc2F)CO[C@@]1(C)C(F)(F)F
InChIKey: ZQWLEEHQYOVHRA-HZPDHXFCSA-N
분자식: C17H22F4N4O3
평균 분자량: 406.4 g/mol

이름 및 식별자

우선 이름: [(2R,5S)-5-(6-Amino-3-fluoro-pyridin-2-yl)-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-[(3S,6R)-3-(6-amino-3-fluoro-2-pyridinyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-yl]carbamate

이름 및 동의어

[(2R,5S)-5-(6-Amino-3-fluoro-pyridin-2-yl)-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl esterSCHEMBL10321940[(2R, 5S)-5-(6-Amino-3-fluoro-pyridin-2-yl)-2, 5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester

데이터베이스 식별자

PubChem CID: 68108222

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 98.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 10
회전 가능 결합 수: 4
무거운 원자 수: 28
형식 전하: 0
복잡도: 637

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