Di-tert-butyl [(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]imidodicarbonate

HCID 21114341

기본 정보

표준 SMILES
CC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1=O
InChIKey
SSDTWADKNAPKIN-VQIMIIECSA-N
분자식
C26H38F2N2O6
평균 분자량
512.6 g/mol

이름 및 식별자

우선 이름
Di-tert-butyl [(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]imidodicarbonate
IUPAC
tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

이름 및 동의어

SCHEMBL1197623SSDTWADKNAPKIN-VQIMIIECSA-NDi-tert-butyl [(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]imidodicarbonateDi-tert-butyl [(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-oxoazepan-3-yl]imidodicarbonateDi-tert-butyl[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]imidodicarbonate

데이터베이스 식별자

PubChem CID
21114341

물성

구조 계산 물성

XLogP
4.2
극성 표면적
96.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
36

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