5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazoline
5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V003-7662 |
| Compound Name: | 5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 514.61 |
| Molecular Formula: | C27 H26 N6 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCCN(CC3)S(c3ccccc3)(=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.6015 |
| logD: | 4.5404 |
| logSw: | -4.2955 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.387 |
| InChI Key: | PYQHFOAFOZRQLC-UHFFFAOYSA-N |