N-phenyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-phenyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
N-phenyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V029-0186 |
| Compound Name: | N-phenyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 469.57 |
| Molecular Formula: | C25 H23 N7 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3cccs3)n12)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4648 |
| logD: | 4.4262 |
| logSw: | -4.254 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.619 |
| InChI Key: | NIESIZFCANMNBF-UHFFFAOYSA-N |