N-cyclopentyl-2-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-2-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0096 |
| Compound Name: | N-cyclopentyl-2-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 516.6 |
| Molecular Formula: | C28 H32 N6 O4 |
| Smiles: | CCCN1C2=NN(CC(NCc3ccc(C)cc3)=O)C(N2c2cc(ccc2C1=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2899 |
| logD: | 3.2899 |
| logSw: | -3.6738 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.161 |
| InChI Key: | FRSFNKVSBLPIMM-UHFFFAOYSA-N |