methyl 4-cyano-3-methyl-5-(4-phenylbutanamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-3-methyl-5-(4-phenylbutanamido)thiophene-2-carboxylate
methyl 4-cyano-3-methyl-5-(4-phenylbutanamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y205-6023 |
| Compound Name: | methyl 4-cyano-3-methyl-5-(4-phenylbutanamido)thiophene-2-carboxylate |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | Cc1c(C#N)c(NC(CCCc2ccccc2)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5431 |
| logD: | 1.4762 |
| logSw: | -4.0342 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.141 |
| InChI Key: | YASIHZGTMSTCRQ-UHFFFAOYSA-N |