2-phenyl-1-{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-phenyl-1-{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-phenyl-1-{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V018-6678 |
| Compound Name: | 2-phenyl-1-{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 468.58 |
| Molecular Formula: | C26 H24 N6 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3cccs3)n12)C(Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5755 |
| logD: | 4.5369 |
| logSw: | -4.4453 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.271 |
| InChI Key: | WCFSDTSVFMROBH-UHFFFAOYSA-N |