5-[(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-1132 |
| Compound Name: | 5-[(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 472.49 |
| Molecular Formula: | C22 H21 F N4 O5 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(COCc1nnc(C(Nc2cccc(c2)F)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9683 |
| logD: | 1.9651 |
| logSw: | -2.8851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.95 |
| InChI Key: | QHHKFRHROPMWMB-ZDUSSCGKSA-N |