5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0720 |
| Compound Name: | 5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C21 H29 F N6 O3 S |
| Smiles: | CCN1CCN(CCCNC(COCc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.5312 |
| logD: | -0.417 |
| logSw: | -2.1594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.324 |
| InChI Key: | ZUHJQVDKCGNEKK-UHFFFAOYSA-N |