5-(3-{[(4-butoxyphenyl)methyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[(4-butoxyphenyl)methyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(3-{[(4-butoxyphenyl)methyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0660 |
| Compound Name: | 5-(3-{[(4-butoxyphenyl)methyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CCCCOc1ccc(CNC(CCc2nnc(C(Nc3ccccc3)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.858 |
| logD: | 3.8579 |
| logSw: | -3.819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.947 |
| InChI Key: | JBGXVXCUOGVJPF-UHFFFAOYSA-N |