{4-[(1,2-benzoxazol-3-yl)methyl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[(1,2-benzoxazol-3-yl)methyl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
{4-[(1,2-benzoxazol-3-yl)methyl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | L269-0206 |
| Compound Name: | {4-[(1,2-benzoxazol-3-yl)methyl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C21 H23 N3 O2 |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)Cc1c2ccccc2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2006 |
| logD: | 3.1879 |
| logSw: | -3.0964 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.453 |
| InChI Key: | XMGBMLAMZWCVLS-UHFFFAOYSA-N |