1-(benzylsulfanyl)-N-cyclohexyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-(benzylsulfanyl)-N-cyclohexyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-(benzylsulfanyl)-N-cyclohexyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0914 |
| Compound Name: | 1-(benzylsulfanyl)-N-cyclohexyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C24 H25 N5 O2 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCc1ccccc1)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4449 |
| logD: | 3.4449 |
| logSw: | -4.011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.488 |
| InChI Key: | JMLNHRGZTMPOGW-UHFFFAOYSA-N |