{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | V016-5854 |
| Compound Name: | {4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone |
| Molecular Weight: | 468.58 |
| Molecular Formula: | C26 H24 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(c3cccs3)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 5.1356 |
| logD: | 5.0745 |
| logSw: | -5.1621 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.799 |
| InChI Key: | CWXFQMXKRAGCMJ-UHFFFAOYSA-N |