methyl 3-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
methyl 3-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C700-1674 |
| Compound Name: | methyl 3-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | Cc1cc(C)c(Cn2cccc2CNC(Nc2ccsc2C(=O)OC)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7962 |
| logD: | 4.7939 |
| logSw: | -4.5588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.428 |
| InChI Key: | PKMCNIJECQGAJM-UHFFFAOYSA-N |