ethyl 2-{[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamamido}benzoate
Chemical Structure Depiction of
ethyl 2-{[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamamido}benzoate
ethyl 2-{[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamamido}benzoate
Compound characteristics
| Compound ID: | C796-0376 |
| Compound Name: | ethyl 2-{[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamamido}benzoate |
| Molecular Weight: | 558.66 |
| Molecular Formula: | C29 H30 N6 O4 S |
| Smiles: | CCOC(c1ccccc1NC(N(Cc1ccc(C)cc1)Cc1cccn1c1nnc(N2CCCC2=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4782 |
| logD: | 5.4778 |
| logSw: | -5.2172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.534 |
| InChI Key: | GOZFYMMNGHPUBC-UHFFFAOYSA-N |