methyl 5-carbamoyl-4-methyl-2-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}acetamido)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-carbamoyl-4-methyl-2-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}acetamido)thiophene-3-carboxylate
methyl 5-carbamoyl-4-methyl-2-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-6250 |
| Compound Name: | methyl 5-carbamoyl-4-methyl-2-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}acetamido)thiophene-3-carboxylate |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | Cc1ccc(CN2CCN(CC2)CC(Nc2c(C(=O)OC)c(C)c(C(N)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0799 |
| logD: | 2.0799 |
| logSw: | -2.7657 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.688 |
| InChI Key: | JKBITWSUHVWXOO-UHFFFAOYSA-N |