N-(3-chlorophenyl)-5-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0571 |
| Compound Name: | N-(3-chlorophenyl)-5-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C23 H23 Cl N4 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.208 |
| logD: | 3.2047 |
| logSw: | -3.8066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.515 |
| InChI Key: | YZJITYABEFJXJX-AWEZNQCLSA-N |