methyl 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
methyl 2-{[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamamido}benzoate
methyl 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: | C796-0373 |
| Compound Name: | methyl 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: | 544.63 |
| Molecular Formula: | C28 H28 N6 O4 S |
| Smiles: | Cc1ccc(CN(Cc2cccn2c2nnc(N3CCCC3=O)s2)C(Nc2ccccc2C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9345 |
| logD: | 4.9341 |
| logSw: | -4.444 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.955 |
| InChI Key: | TZZZUOCEEIUEST-UHFFFAOYSA-N |