5-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0966 |
| Compound Name: | 5-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CCCc1nnc(C(Nc2ccccc2C)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4475 |
| logD: | 2.4474 |
| logSw: | -2.906 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.817 |
| InChI Key: | NCMBEZDTRRSUKU-INIZCTEOSA-N |