N-(2-methylphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0944 |
| Compound Name: | N-(2-methylphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C21 H30 N6 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCCN2CCN(C)CC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6496 |
| logD: | -0.0179 |
| logSw: | -2.1346 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.132 |
| InChI Key: | XKPCFQZZHJABOH-UHFFFAOYSA-N |