1-benzyl-6-hydroxy-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-2-one
Chemical Structure Depiction of
1-benzyl-6-hydroxy-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-2-one
1-benzyl-6-hydroxy-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-1187 |
| Compound Name: | 1-benzyl-6-hydroxy-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-2-one |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C18 H22 N2 O2 S |
| Smiles: | Cc1ccsc1CN1CC(CN(Cc2ccccc2)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0104 |
| logD: | 2.0094 |
| logSw: | -2.1708 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.547 |
| InChI Key: | AGHVGMLCWKMEEC-INIZCTEOSA-N |