2-{3-[(4-bromo-3,5-dimethyl-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-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-5309 |
| Compound Name: | 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 515.47 |
| Molecular Formula: | C24 H27 Br N4 O2 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(Nc2c(C(N)=O)c3CCCCCCc3s2)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6339 |
| logD: | 1.5285 |
| logSw: | -4.3363 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.716 |
| InChI Key: | PTTUMBCIVFTIOH-UHFFFAOYSA-N |