(S)-Diethyl (7,8-Difluoro-3-Methyl-3,4-Dihydro-2H-[1,4]Benzoxazin-4-Yl)Methylene-Malonate

HCID 11089557

기본 정보

표준 SMILES
CCOC(=O)C(=CN1c2ccc(F)c(F)c2OC[C@@H]1C)C(=O)OCC
InChIKey
WKJZEEFYXOHIMG-JTQLQIEISA-N
분자식
C17H19F2NO5
평균 분자량
355.33 g/mol

이름 및 식별자

우선 이름
(S)-Diethyl (7,8-Difluoro-3-Methyl-3,4-Dihydro-2H-[1,4]Benzoxazin-4-Yl)Methylene-Malonate
IUPAC
diethyl 2-[[(3S)-7,8-difluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methylidene]propanedioate

이름 및 동의어

WKJZEEFYXOHIMG-JTQLQIEISA-NDiethyl [(3S)-7,8-difluoro-3,4-dihydro-3-methyl-2H-[1,4]benzoxazin-4-yl]methylenemalonateDiethyl [(3S)-7,8-difluoro-3-methyl-2,3-dihydro-4H-[1,4]benzoxazin-4-yl]methylenemalonateDiethyl[(3S)-7,8-difluoro-3,4-dihydro-3-methyl-2H-[1,4]benzoxazin-4-yl]methylenemalonate(S)-Diethyl (7,8-Difluoro-3-Methyl-3,4-Dihydro-2H-[1,4]Benzoxazin-4-Yl)Methylene-Malonate

데이터베이스 식별자

PubChem CID
11089557
Nikkaji
J1.627.833E

물성

구조 계산 물성

XLogP
3.2
극성 표면적
65.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
25

관련 반응

24건

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