5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile

HCID 9814768

기본 정보

표준 SMILES
Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)(C)OC(=O)N2
InChIKey
FUMWUTSVOOBPCJ-UHFFFAOYSA-N
분자식
C16H14N2O2S
평균 분자량
298.4 g/mol

이름 및 식별자

우선 이름
5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile
IUPAC
5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile

이름 및 동의어

SCHEMBL3870568FUMWUTSVOOBPCJ-UHFFFAOYSA-N5-(4, 4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo [d] [1,3]oxazin-6-yl)-4-methyl-thiophene2-carbonitrile5-(4, 4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methyl-thiophene-2-carbonitrile5-(4, 4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methyl-thiophene2-carbonitrile5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitile5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-4-methylthiophene-2-carbonitrile5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methyl-thiophene-2-carbonitrile5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methylthiophene-2-carbonitrile5-(4. 4-Dimethyl-2-oxo-1. 4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-4-methyl-thiophene-2-carbonitrile

데이터베이스 식별자

PubChem CID
9814768

물성

구조 계산 물성

XLogP
3.4
극성 표면적
90.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
21

관련 반응

18건

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