4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-7005 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CC(C)CNC(c1ccc2C(N(Cc3ccc(C)cc3)C3=NNC(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0533 |
| logD: | -2.4506 |
| logSw: | -3.3776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.221 |
| InChI Key: | VXHTWHGYTGZTME-UHFFFAOYSA-N |