Compound C21H22N4O4

ethyl N-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamate

CAS: 32059-12-4

Molecular Formula	`C21H22N4O4`
Molecular Weight	394.4 g/mol
LogP	3.0
Topological Polar Surface Area	91.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	394.1641
Heavy Atoms	29
Complexity	664.0

Chemical Identifiers

CAS Number	32059-12-4
SMILES	`CCOC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C`
InChIKey	`VKDKWGIVULSQSU-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H22N4O4 (CAS: 32059-12-4) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.4 g/mol. Its IUPAC systematic name is ethyl N-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamate. LogP 3.0 Topological Polar Surface Area 91.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 394.1641 Heavy Atoms 29 Complexity 664.0 InChI Key: VKDKWGIVULSQSU-UHFFFAOYSA-N. SMILES: CCOC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C.

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