N-(3-chlorophenyl)-5-(4-{[(3-methoxyphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-(4-{[(3-methoxyphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-(4-{[(3-methoxyphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0480 |
| Compound Name: | N-(3-chlorophenyl)-5-(4-{[(3-methoxyphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | COc1cccc(CNC(CCCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6806 |
| logD: | 3.6773 |
| logSw: | -4.1225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | RDRNXJKJBRDFTE-UHFFFAOYSA-N |