1-methyl-N-{3-[(2-methylphenyl)carbamoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl}-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1-methyl-N-{3-[(2-methylphenyl)carbamoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl}-1H-pyrazole-5-carboxamide
1-methyl-N-{3-[(2-methylphenyl)carbamoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl}-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y203-3466 |
| Compound Name: | 1-methyl-N-{3-[(2-methylphenyl)carbamoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl}-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | Cc1ccccc1NC(c1c2CCCCCCc2sc1NC(c1ccnn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3988 |
| logD: | 3.2288 |
| logSw: | -4.4487 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.419 |
| InChI Key: | DMEGTIHQZMZYCT-UHFFFAOYSA-N |