5-{[(2-{[2-(4-ethylpiperazin-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[2-(4-ethylpiperazin-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[2-(4-ethylpiperazin-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0323 |
| Compound Name: | 5-{[(2-{[2-(4-ethylpiperazin-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.64 |
| Molecular Formula: | C21 H30 N6 O2 S2 |
| Smiles: | CCN1CCN(CCNC(CSCc2nnc(C(Nc3ccc(C)cc3)=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.8286 |
| logD: | 1.036 |
| logSw: | -2.4267 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.89 |
| InChI Key: | KDSIZSKIHGUPEH-UHFFFAOYSA-N |