8-chloro-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
8-chloro-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
8-chloro-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0349 |
| Compound Name: | 8-chloro-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1cc(C)ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7126 |
| logD: | 5.7126 |
| logSw: | -5.7556 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | NJBBMECTBACRAI-UHFFFAOYSA-N |