phenyl{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
phenyl{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
phenyl{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V017-8293 |
| Compound Name: | phenyl{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C25 H22 N6 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3cccs3)n12)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1911 |
| logD: | 4.1525 |
| logSw: | -4.2131 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.799 |
| InChI Key: | BNNTWGILTAKSMI-UHFFFAOYSA-N |