N-[(4-methylphenyl)methyl]-N-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-N'-[2-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-N'-[2-(trifluoromethyl)phenyl]urea
N-[(4-methylphenyl)methyl]-N-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-N'-[2-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | C796-0363 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-N'-[2-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 554.59 |
| Molecular Formula: | C27 H25 F3 N6 O2 S |
| Smiles: | Cc1ccc(CN(Cc2cccn2c2nnc(N3CCCC3=O)s2)C(Nc2ccccc2C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7256 |
| logD: | 5.7256 |
| logSw: | -5.2489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.781 |
| InChI Key: | QLTYGDFFHLYRIS-UHFFFAOYSA-N |