5-(3-{[(4-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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: | L253-0403 |
| Compound Name: | 5-(3-{[(4-chlorophenyl)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: | 521.45 |
| Molecular Formula: | C21 H17 Cl N6 O2 S2 |
| Salt: | HCl |
| Smiles: | C(Cc1nnc(C(Nc2nnc(c3ccccc3)s2)=O)s1)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.917 |
| logD: | 3.9136 |
| logSw: | -4.6165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.802 |
| InChI Key: | MUJBJJSSNARKFE-UHFFFAOYSA-N |