methyl 2-[(1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[(1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3651 |
| Compound Name: | methyl 2-[(1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | Cn1ccc(C(Nc2c(C(=O)OC)c3CCCCCCc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0798 |
| logD: | 0.2545 |
| logSw: | -3.4588 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.242 |
| InChI Key: | KGDUTMCNVLVXBW-UHFFFAOYSA-N |