3-benzyl-5-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-benzyl-5-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-c]quinazoline
3-benzyl-5-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V025-2928 |
| Compound Name: | 3-benzyl-5-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C28 H28 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N1CCCN(CC1)c1nc2ccccc2c2nnc(Cc3ccccc3)n12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8604 |
| logD: | 4.8441 |
| logSw: | -4.8025 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.819 |
| InChI Key: | DMHIABLJOPZQCK-UHFFFAOYSA-N |