N-benzyl-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-benzyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
N-benzyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V003-7676 |
| Compound Name: | N-benzyl-4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C26 H25 N7 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3cccs3)n12)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.284 |
| logD: | 4.2454 |
| logSw: | -4.2055 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.942 |
| InChI Key: | RBKGGDFZVXIWGT-UHFFFAOYSA-N |