propan-2-yl 2-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
propan-2-yl 2-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6228-1420 |
| Compound Name: | propan-2-yl 2-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C22 H24 N4 O6 S |
| Smiles: | CC(C)OC(c1c2CCCc2sc1NC(c1ccc(Cn2c(C)c(c(C)n2)[N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.921 |
| logD: | 0.8961 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.746 |
| InChI Key: | DMORMEJKCAWOAA-UHFFFAOYSA-N |