5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V003-8946 |
| Compound Name: | 5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C28 H28 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccccc3nc(N3CCCN(CC3)S(c3cccc(C)c3)(=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 5.5982 |
| logD: | 5.3314 |
| logSw: | -5.7617 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.843 |
| InChI Key: | CHUOSWCBXVHWNQ-UHFFFAOYSA-N |