N-{4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Chemical Structure Depiction of
N-{4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
N-{4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Compound characteristics
| Compound ID: | S555-1123 |
| Compound Name: | N-{4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C20 H26 N4 O4 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(CCc2c(C)noc2C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1765 |
| logD: | 2.1765 |
| logSw: | -2.9149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.864 |
| InChI Key: | DHMKVAUAWWTHQL-UHFFFAOYSA-N |