5-[(2-methylphenoxy)methyl]-N-(3-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-methylphenoxy)methyl]-N-(3-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-methylphenoxy)methyl]-N-(3-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0383 |
| Compound Name: | 5-[(2-methylphenoxy)methyl]-N-(3-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 494.62 |
| Molecular Formula: | C25 H30 N6 O3 S |
| Smiles: | Cc1ccccc1OCc1nnc(C(Nc2cccc(c2)C(NCCN2CCN(C)CC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5376 |
| logD: | 1.8701 |
| logSw: | -2.858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.357 |
| InChI Key: | LBXOCKJMQNKGFZ-UHFFFAOYSA-N |