N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F854-0678 |
| Compound Name: | N-(3-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C21 H21 Br N4 O3 S |
| Smiles: | CCCc1nnc(C(Nc2cccc(c2)C(NCc2cc(ccc2OC)[Br])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6749 |
| logD: | 4.6748 |
| logSw: | -4.4988 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.373 |
| InChI Key: | VSTUFEHKOOYKSI-UHFFFAOYSA-N |