N-(4-chlorophenyl)-5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
N-(4-chlorophenyl)-5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0553 |
| Compound Name: | N-(4-chlorophenyl)-5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 483.05 |
| Molecular Formula: | C20 H27 Cl N6 O2 S2 |
| Smiles: | CCN1CCN(CCCNC(CSc2nnc(C(Nc3ccc(cc3)[Cl])=O)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.0439 |
| logD: | 1.0957 |
| logSw: | -2.9333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.755 |
| InChI Key: | XGCBXDOHTDDJOC-UHFFFAOYSA-N |