2-[2-(4-methylphenyl)-2-oxoethyl]-N,4-bis(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[2-(4-methylphenyl)-2-oxoethyl]-N,4-bis(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(4-methylphenyl)-2-oxoethyl]-N,4-bis(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0295 |
| Compound Name: | 2-[2-(4-methylphenyl)-2-oxoethyl]-N,4-bis(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C27 H31 N5 O4 |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC(C)C)C3=NN(CC(c4ccc(C)cc4)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7721 |
| logD: | 3.7721 |
| logSw: | -4.0059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.139 |
| InChI Key: | UTPCSTANBPNBQF-UHFFFAOYSA-N |