methyl 4-{[2-chloro-N-methyl-5-(methylsulfanyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[2-chloro-N-methyl-5-(methylsulfanyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{[2-chloro-N-methyl-5-(methylsulfanyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G798-0906 |
| Compound Name: | methyl 4-{[2-chloro-N-methyl-5-(methylsulfanyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 380.89 |
| Molecular Formula: | C18 H21 Cl N2 O3 S |
| Smiles: | [H]n1c(C)c(CN(C)C(c2cc(ccc2[Cl])SC)=O)c(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7377 |
| logD: | 3.7377 |
| logSw: | -4.2061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.544 |
| InChI Key: | FDGYHFYGJFIJNI-UHFFFAOYSA-N |