[(7-chloro-5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(7-chloro-5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
[(7-chloro-5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | F458-0422 |
| Compound Name: | [(7-chloro-5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 391.88 |
| Molecular Formula: | C17 H18 Cl N5 O2 S |
| Smiles: | CC(C)OCCCN1C(c2cc(ccc2n2c1nnc2SCC#N)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4573 |
| logD: | 2.4573 |
| logSw: | -3.3181 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.526 |
| InChI Key: | BUPRZVCWMFEVIR-UHFFFAOYSA-N |