methyl 3-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
methyl 3-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C700-1680 |
| Compound Name: | methyl 3-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | Cc1cccc(Cn2cccc2CNC(Nc2ccsc2C(=O)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8753 |
| logD: | 3.8729 |
| logSw: | -3.9613 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.428 |
| InChI Key: | HGQKSUANMDAJIV-UHFFFAOYSA-N |