methyl 2-[(4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[(4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-3582 |
| Compound Name: | methyl 2-[(4-nitro-1H-pyrazole-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C16 H18 N4 O5 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(c1c(c[nH]n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4151 |
| logD: | -2.041 |
| logSw: | -4.0845 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.092 |
| InChI Key: | DUTCCUMVBWHGMN-UHFFFAOYSA-N |