1-{[(4-chlorophenyl)methyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(4-chlorophenyl)methyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(4-chlorophenyl)methyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0410 |
| Compound Name: | 1-{[(4-chlorophenyl)methyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 498.05 |
| Molecular Formula: | C25 H28 Cl N5 O2 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC(C)C)c3nnc(n3c2c1)SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8481 |
| logD: | 4.8481 |
| logSw: | -4.7589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.268 |
| InChI Key: | UDYACSGEZXMAID-UHFFFAOYSA-N |