2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 6228-2300 |
| Compound Name: | 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 487.42 |
| Molecular Formula: | C22 H23 Br N4 O2 S |
| Smiles: | C1CCCc2c(CC1)c(C(N)=O)c(NC(c1cccc(Cn3cc(cn3)[Br])c1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.4478 |
| logD: | 1.3423 |
| logSw: | -3.8592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.94 |
| InChI Key: | CKKPHWUGUUEMIT-UHFFFAOYSA-N |