N-(3-chlorophenyl)-5-{[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0391 |
| Compound Name: | N-(3-chlorophenyl)-5-{[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C20 H19 Cl N4 O3 S2 |
| Smiles: | COc1ccc(CNC(CSCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9696 |
| logD: | 3.9663 |
| logSw: | -4.3696 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | PONOBNNWGGJMQO-UHFFFAOYSA-N |