benzyl 4-(8-chloro-3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate
Chemical Structure Depiction of
benzyl 4-(8-chloro-3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate
benzyl 4-(8-chloro-3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V029-0411 |
| Compound Name: | benzyl 4-(8-chloro-3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxylate |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C27 H23 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(=O)OCc1ccccc1)c1nc2cc(ccc2c2nnc(c3ccccc3)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1956 |
| logD: | 6.1345 |
| logSw: | -6.3638 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.877 |
| InChI Key: | NYRRFSCGHWWCRU-UHFFFAOYSA-N |