N-(3-chlorophenyl)-5-{[3-(4-methoxyphenyl)propanamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[3-(4-methoxyphenyl)propanamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[3-(4-methoxyphenyl)propanamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0339 |
| Compound Name: | N-(3-chlorophenyl)-5-{[3-(4-methoxyphenyl)propanamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C20 H19 Cl N4 O3 S |
| Smiles: | COc1ccc(CCC(NCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8013 |
| logD: | 3.798 |
| logSw: | -4.3355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | MODLDEJPJKIKIG-UHFFFAOYSA-N |