N-(3-chlorophenyl)-5-(4-{[(2-methoxyphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-(4-{[(2-methoxyphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-(4-{[(2-methoxyphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0479 |
| Compound Name: | N-(3-chlorophenyl)-5-(4-{[(2-methoxyphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | COc1ccccc1CNC(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8046 |
| logD: | 3.8013 |
| logSw: | -4.2824 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.159 |
| InChI Key: | MEXBXRJCDNTAKY-UHFFFAOYSA-N |