1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V015-1365 |
| Compound Name: | 1-{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 513.58 |
| Molecular Formula: | C26 H23 N7 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.784 |
| logD: | 3.778 |
| logSw: | -4.2123 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.352 |
| InChI Key: | GFGNTCRMSFIQEL-UHFFFAOYSA-N |