2-({5-[(4-chloro-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-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 6228-1402 |
| Compound Name: | 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 432.93 |
| Molecular Formula: | C20 H21 Cl N4 O3 S |
| Smiles: | C1CCCc2c(CC1)c(C(N)=O)c(NC(c1ccc(Cn3cc(cn3)[Cl])o1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0453 |
| logD: | 2.0644 |
| logSw: | -3.9852 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.781 |
| InChI Key: | IRLFXJDJJAICQT-UHFFFAOYSA-N |