7-chloro-1-{[(3-chlorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
7-chloro-1-{[(3-chlorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-chloro-1-{[(3-chlorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0426 |
| Compound Name: | 7-chloro-1-{[(3-chlorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 477.41 |
| Molecular Formula: | C22 H22 Cl2 N4 O2 S |
| Smiles: | CC(C)OCCCN1C(c2cc(ccc2n2c1nnc2SCc1cccc(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1263 |
| logD: | 5.1263 |
| logSw: | -5.2833 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.763 |
| InChI Key: | ZMBRBNKMSIKKMG-UHFFFAOYSA-N |