1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0299 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C26 H31 N5 O2 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCc1cc(C)ccc1C)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3272 |
| logD: | 5.3272 |
| logSw: | -5.197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.243 |
| InChI Key: | MXNUOIAJQWPGMR-UHFFFAOYSA-N |