methyl 2-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-6774 |
| Compound Name: | methyl 2-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | CC(C(Nc1c(C(=O)OC)c2CCCCCc2s1)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.776 |
| logD: | 0.3544 |
| logSw: | -3.2402 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.512 |
| InChI Key: | KXGSESNOXIYZOS-JTQLQIEISA-N |