benzyl 4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxylate
Chemical Structure Depiction of
benzyl 4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxylate
benzyl 4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V025-0258 |
| Compound Name: | benzyl 4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxylate |
| Molecular Weight: | 513 |
| Molecular Formula: | C28 H25 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccc(cc3nc(N3CCN(CC3)C(=O)OCc3ccccc3)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.67 |
| logD: | 6.3893 |
| logSw: | -6.2639 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.877 |
| InChI Key: | DOFUBCVVNMLSAS-UHFFFAOYSA-N |