N-(3-chlorophenyl)-5-{[2-({[4-(dimethylamino)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[2-({[4-(dimethylamino)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[2-({[4-(dimethylamino)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-1169 |
| Compound Name: | N-(3-chlorophenyl)-5-{[2-({[4-(dimethylamino)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 461.99 |
| Molecular Formula: | C20 H20 Cl N5 O2 S2 |
| Smiles: | CN(C)c1ccc(CNC(CSc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.998 |
| logD: | 3.9816 |
| logSw: | -4.2842 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.199 |
| InChI Key: | KDMKAPCXBVOIRZ-UHFFFAOYSA-N |