N-(3-chlorophenyl)-5-(4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-(4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-(4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0537 |
| Compound Name: | N-(3-chlorophenyl)-5-(4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 465.02 |
| Molecular Formula: | C21 H29 Cl N6 O2 S |
| Smiles: | CN1CCN(CCCNC(CCCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.5333 |
| logD: | 0.3287 |
| logSw: | -2.8347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.829 |
| InChI Key: | UVGUHFMHISHGQJ-UHFFFAOYSA-N |