5-[(3,4-dimethoxyphenoxy)methyl]-N-[4-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(3,4-dimethoxyphenoxy)methyl]-N-[4-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
5-[(3,4-dimethoxyphenoxy)methyl]-N-[4-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0815 |
| Compound Name: | 5-[(3,4-dimethoxyphenoxy)methyl]-N-[4-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C28 H29 N5 O5 S |
| Smiles: | CN(C)c1ccc(CNC(c2ccc(cc2)NC(c2nnc(COc3ccc(c(c3)OC)OC)s2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3041 |
| logD: | 3.2819 |
| logSw: | -3.7261 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.035 |
| InChI Key: | PHVMUMVMXMORCW-UHFFFAOYSA-N |