methyl 2-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7949 |
| Compound Name: | methyl 2-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 398.28 |
| Molecular Formula: | C15 H16 Br N3 O3 S |
| Smiles: | CCn1c(C(Nc2c(C(=O)OC)c3CCCc3s2)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9749 |
| logD: | -1.6684 |
| logSw: | -3.333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.539 |
| InChI Key: | ZIXWTCDUSCPCSP-UHFFFAOYSA-N |