N-cyclopentyl-4-(3-methylbutyl)-2-[(4-methylphenyl)methyl]-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-(3-methylbutyl)-2-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-4-(3-methylbutyl)-2-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0408 |
| Compound Name: | N-cyclopentyl-4-(3-methylbutyl)-2-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C28 H33 N5 O3 |
| Smiles: | CC(C)CCN1C2=NN(Cc3ccc(C)cc3)C(N2c2cc(ccc2C1=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9233 |
| logD: | 4.9233 |
| logSw: | -4.4433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.69 |
| InChI Key: | XVMJQOGXCRHUKF-UHFFFAOYSA-N |