{4-[3-(2-chlorophenyl)[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-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | V023-9458 |
| Compound Name: | {4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone |
| Molecular Weight: | 489 |
| Molecular Formula: | C25 H21 Cl N6 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3ccccc3[Cl])n12)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9439 |
| logD: | 4.8787 |
| logSw: | -4.921 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.799 |
| InChI Key: | JYKSOPDZPDYZOI-UHFFFAOYSA-N |