1-[(2-amino-2-oxoethyl)sulfanyl]-N-cyclohexyl-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-[(2-amino-2-oxoethyl)sulfanyl]-N-cyclohexyl-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-[(2-amino-2-oxoethyl)sulfanyl]-N-cyclohexyl-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0392 |
| Compound Name: | 1-[(2-amino-2-oxoethyl)sulfanyl]-N-cyclohexyl-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C22 H28 N6 O3 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC(N)=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5152 |
| logD: | 2.5152 |
| logSw: | -3.0578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.382 |
| InChI Key: | NFVWMZQJIXGZSV-UHFFFAOYSA-N |