benzyl 4-[8-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxylate
Chemical Structure Depiction of
benzyl 4-[8-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxylate
benzyl 4-[8-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V003-2228 |
| Compound Name: | benzyl 4-[8-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxylate |
| Molecular Weight: | 529 |
| Molecular Formula: | C28 H25 Cl N6 O3 |
| Salt: | not_available |
| Smiles: | COc1ccccc1c1nnc2c3ccc(cc3nc(N3CCN(CC3)C(=O)OCc3ccccc3)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8999 |
| logD: | 5.1608 |
| logSw: | -6.0136 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.508 |
| InChI Key: | RQIVVNPPOZEWPJ-UHFFFAOYSA-N |