benzyl 4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepane-1-carboxylate
benzyl 4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V028-8835 |
| Compound Name: | benzyl 4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 450.93 |
| Molecular Formula: | C23 H23 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1nnc2c3ccc(cc3nc(N3CCCN(CC3)C(=O)OCc3ccccc3)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5326 |
| logD: | 4.3787 |
| logSw: | -4.7038 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.257 |
| InChI Key: | DSSVTDGFTRXVTK-UHFFFAOYSA-N |