N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F735-0360 |
| Compound Name: | N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C20 H27 N5 O2 S |
| Smiles: | Cc1nnc(C(Nc2ccc(cc2)C(NCCCN2CCCCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.9715 |
| logD: | -0.5991 |
| logSw: | -2.5343 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.209 |
| InChI Key: | NRJXRLYCXRNUCT-UHFFFAOYSA-N |