2-methoxy-N-[4-(4-phenylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide
Chemical Structure Depiction of
2-methoxy-N-[4-(4-phenylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide
2-methoxy-N-[4-(4-phenylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide
Compound characteristics
| Compound ID: | S555-1182 |
| Compound Name: | 2-methoxy-N-[4-(4-phenylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]acetamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C22 H26 N2 O4 |
| Smiles: | COCC(Nc1ccc2c(CN(CCO2)C(CCCc2ccccc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2063 |
| logD: | 3.2063 |
| logSw: | -3.3933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.877 |
| InChI Key: | QULPUHJNVZDBEQ-UHFFFAOYSA-N |