7-chloro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
7-chloro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-chloro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0420 |
| Compound Name: | 7-chloro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C21 H21 Cl N4 O2 S |
| Smiles: | CC(C)CN1C(c2cc(ccc2n2c1nnc2SCc1cccc(c1)OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0994 |
| logD: | 5.0994 |
| logSw: | -5.1948 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.127 |
| InChI Key: | GJVUTAFMLFTBCB-UHFFFAOYSA-N |