5-{[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0321 |
| Compound Name: | 5-{[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 476.66 |
| Molecular Formula: | C22 H32 N6 O2 S2 |
| Smiles: | CCN1CCN(CCCNC(CSCc2nnc(C(Nc3ccc(C)cc3)=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.9518 |
| logD: | 1.0036 |
| logSw: | -2.5199 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.89 |
| InChI Key: | FONOTEYUHDSDDB-UHFFFAOYSA-N |