methyl 2-{3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3297-1189 |
| Compound Name: | methyl 2-{3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C25 H31 N O5 S |
| Smiles: | CCCCCCOc1ccc(/C=C/C(Nc2c(C(=O)OC)c3CCCc3s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.3786 |
| logD: | 4.1817 |
| logSw: | -5.4722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.506 |
| InChI Key: | YYHCSQGYQGVJLQ-UHFFFAOYSA-N |