4-[4-(1,3-benzothiazol-2-yl)butanoyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one
Chemical Structure Depiction of
4-[4-(1,3-benzothiazol-2-yl)butanoyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one
4-[4-(1,3-benzothiazol-2-yl)butanoyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-0269 |
| Compound Name: | 4-[4-(1,3-benzothiazol-2-yl)butanoyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Smiles: | CC(C)CN1CC(CN(CC1=O)C(CCCc1nc2ccccc2s1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.266 |
| logD: | 2.266 |
| logSw: | -2.5527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.404 |
| InChI Key: | QAZHTIGFSOZDIL-HNNXBMFYSA-N |