N-cyclopentyl-4-methyl-2-[2-(3-methylanilino)-2-oxoethyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-4-methyl-2-[2-(3-methylanilino)-2-oxoethyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-4-methyl-2-[2-(3-methylanilino)-2-oxoethyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | F470-0750 |
Compound Name: | N-cyclopentyl-4-methyl-2-[2-(3-methylanilino)-2-oxoethyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
Molecular Weight: | 474.52 |
Molecular Formula: | C25 H26 N6 O4 |
Smiles: | Cc1cccc(c1)NC(CN1C(N2C(=N1)N(C)C(c1ccc(cc12)C(NC1CCCC1)=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5448 |
logD: | 2.5448 |
logSw: | -3.0394 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 95.627 |
InChI Key: | NTXNSVZMXFJQQH-UHFFFAOYSA-N |