2-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-3374 |
| Compound Name: | 2-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C20 H21 N5 O5 S |
| Smiles: | C1CCCc2c(CC1)c(C(N)=O)c(NC(c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.3586 |
| logD: | 1.3776 |
| logSw: | -2.888 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.163 |
| InChI Key: | RDPIDMBSZNRSNG-UHFFFAOYSA-N |