benzyl 4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
benzyl 4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V003-7650 |
| Compound Name: | benzyl 4-[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 508.58 |
| Molecular Formula: | C29 H28 N6 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(=O)OCc3ccccc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 5.6458 |
| logD: | 5.5846 |
| logSw: | -5.7782 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.752 |
| InChI Key: | WAHDAISXBMHENI-UHFFFAOYSA-N |