5-{[(4-bromo-2-fluorophenyl)carbamamido]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(4-bromo-2-fluorophenyl)carbamamido]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(4-bromo-2-fluorophenyl)carbamamido]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0413 |
| Compound Name: | 5-{[(4-bromo-2-fluorophenyl)carbamamido]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 480.31 |
| Molecular Formula: | C18 H15 Br F N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CNC(Nc2ccc(cc2F)[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.52 |
| logD: | 3.5193 |
| logSw: | -3.9303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.8 |
| InChI Key: | TTWNGHDYSFGFAY-UHFFFAOYSA-N |