1-{[(3-chlorophenyl)methyl]sulfanyl}-7-methyl-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(3-chlorophenyl)methyl]sulfanyl}-7-methyl-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(3-chlorophenyl)methyl]sulfanyl}-7-methyl-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0240 |
| Compound Name: | 1-{[(3-chlorophenyl)methyl]sulfanyl}-7-methyl-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 426.97 |
| Molecular Formula: | C22 H23 Cl N4 O S |
| Smiles: | CC(C)CCN1C(c2cc(C)ccc2n2c1nnc2SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7624 |
| logD: | 5.7624 |
| logSw: | -5.7431 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | SIWDDSQEQPXYEQ-UHFFFAOYSA-N |