N-(3-{[2-(dimethylamino)ethyl]carbamoyl}phenyl)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(dimethylamino)ethyl]carbamoyl}phenyl)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-{[2-(dimethylamino)ethyl]carbamoyl}phenyl)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0947 |
| Compound Name: | N-(3-{[2-(dimethylamino)ethyl]carbamoyl}phenyl)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C21 H22 F N5 O3 S |
| Smiles: | CN(C)CCNC(c1cccc(c1)NC(c1nnc(COc2ccc(cc2)F)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4422 |
| logD: | 1.6029 |
| logSw: | -3.0705 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.949 |
| InChI Key: | ILOSQRYSGLLHDZ-UHFFFAOYSA-N |