N-ethyl-N'-{4-[(3-fluoropyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Chemical Structure Depiction of
N-ethyl-N'-{4-[(3-fluoropyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
N-ethyl-N'-{4-[(3-fluoropyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Compound characteristics
| Compound ID: | S555-0995 |
| Compound Name: | N-ethyl-N'-{4-[(3-fluoropyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C18 H21 F N4 O2 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)Cc2ccncc2F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3757 |
| logD: | 2.2918 |
| logSw: | -2.6657 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.956 |
| InChI Key: | ZOURKGKGXPQBNL-UHFFFAOYSA-N |