5-(3-{[(4-methoxyphenyl)methyl]amino}-3-oxopropyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-(3-{[(4-methoxyphenyl)methyl]amino}-3-oxopropyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide--hydrogen chloride (1/1)
5-(3-{[(4-methoxyphenyl)methyl]amino}-3-oxopropyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L253-0421 |
| Compound Name: | 5-(3-{[(4-methoxyphenyl)methyl]amino}-3-oxopropyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C22 H20 N6 O3 S2 |
| Salt: | HCl |
| Smiles: | COc1ccc(CNC(CCc2nnc(C(Nc3nnc(c4ccccc4)s3)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3047 |
| logD: | 3.3013 |
| logSw: | -3.6194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.346 |
| InChI Key: | RCCRANASLKSPGG-UHFFFAOYSA-N |