5-{[(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0350 |
| Compound Name: | 5-{[(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C23 H24 N4 O4 S2 |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CSCc1nnc(C(Nc2ccc(C)cc2)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1521 |
| logD: | 3.152 |
| logSw: | -3.4199 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.515 |
| InChI Key: | NRIRYQDVAMMVER-HNNXBMFYSA-N |