5-{[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0398 |
| Compound Name: | 5-{[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C20 H17 Cl N4 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9003 |
| logD: | 3.897 |
| logSw: | -4.3782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.644 |
| InChI Key: | CHBDLGCJWYRUMU-UHFFFAOYSA-N |