N-(4-methylphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-(4-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0356 |
| Compound Name: | N-(4-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: | Cc1ccc(cc1)NC(c1nnc(CCCC(NCCN2CCN(C)CC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0799 |
| logD: | 0.4124 |
| logSw: | -2.1762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.829 |
| InChI Key: | YKNXYNINLGLDCK-UHFFFAOYSA-N |