1-{[(3-chlorophenyl)methyl]sulfanyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(3-chlorophenyl)methyl]sulfanyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(3-chlorophenyl)methyl]sulfanyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0039 |
| Compound Name: | 1-{[(3-chlorophenyl)methyl]sulfanyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c1nnc2SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.129 |
| logD: | 5.129 |
| logSw: | -5.2924 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | VPNTXQFQOHVYHY-UHFFFAOYSA-N |