N-(4-methoxyphenyl)-5-(4-oxo-4-{[(pyridin-3-yl)methyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-(4-oxo-4-{[(pyridin-3-yl)methyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methoxyphenyl)-5-(4-oxo-4-{[(pyridin-3-yl)methyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0007 |
| Compound Name: | N-(4-methoxyphenyl)-5-(4-oxo-4-{[(pyridin-3-yl)methyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CCCC(NCc2cccnc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5844 |
| logD: | 1.5819 |
| logSw: | -1.7109 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.59 |
| InChI Key: | KIEVRQQQZNBTKD-UHFFFAOYSA-N |