N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F854-0867 |
| Compound Name: | N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C23 H33 N5 O2 S |
| Smiles: | CC(C)Cc1nnc(C(Nc2cccc(c2)C(NCCCN2CCCCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8889 |
| logD: | 1.3182 |
| logSw: | -3.8367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.897 |
| InChI Key: | LGMQCCXEMUUGHA-UHFFFAOYSA-N |