4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide
4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V003-7686 |
| Compound Name: | 4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 493.57 |
| Molecular Formula: | C28 H27 N7 O2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(Nc3ccccc3)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.7268 |
| logD: | 4.6657 |
| logSw: | -4.6388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.145 |
| InChI Key: | YETRDPIQMBYEMX-UHFFFAOYSA-N |