ethyl 2-[3-(4-bromophenyl)prop-2-enamido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(4-bromophenyl)prop-2-enamido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
ethyl 2-[3-(4-bromophenyl)prop-2-enamido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2260-1424 |
| Compound Name: | ethyl 2-[3-(4-bromophenyl)prop-2-enamido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 493.42 |
| Molecular Formula: | C22 H25 Br N2 O4 S |
| Smiles: | CCN(CC)C(c1c(C)c(C(=O)OCC)c(NC(/C=C/c2ccc(cc2)[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9028 |
| logD: | 3.3102 |
| logSw: | -4.6959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.596 |
| InChI Key: | ORTVFKMUYYQPHI-UHFFFAOYSA-N |