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

HCID 9814768

Grundinformationen

Standard-SMILES
Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)(C)OC(=O)N2
InChIKey
FUMWUTSVOOBPCJ-UHFFFAOYSA-N
Summenformel
C16H14N2O2S
Durchschnittliche Molmasse
298,4 g/mol

Namen und Bezeichner

Bevorzugter Name
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

Namen und Synonyme

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

Datenbank-Bezeichner

PubChem CID
9814768

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,4
Polarare Oberfläche (TPSA)
90,4 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
21

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18

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