5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V017-9985 |
| Compound Name: | 5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 498.61 |
| Molecular Formula: | C27 H26 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccccc3nc(N3CCCN(CC3)S(c3ccccc3)(=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.9884 |
| logD: | 4.7216 |
| logSw: | -4.9498 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.843 |
| InChI Key: | ZRUQRNNYOVNWKG-UHFFFAOYSA-N |