2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0158 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | CCCN1C2=NN(Cc3cccc(C)c3)C(N2c2cc(ccc2C1=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0651 |
| logD: | 4.0651 |
| logSw: | -4.0365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.87 |
| InChI Key: | KISYNSCSOCSPLU-UHFFFAOYSA-N |