N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0158 |
| Compound Name: | N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 488.52 |
| Molecular Formula: | C25 H20 N4 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(cc1)NC(c1nnc(COc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.661 |
| logD: | 3.6543 |
| logSw: | -4.1114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.085 |
| InChI Key: | AHWVIOKMFPRUSZ-UHFFFAOYSA-N |