N-[4-(cyclopent-3-ene-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[4-(cyclopent-3-ene-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-methoxyacetamide
N-[4-(cyclopent-3-ene-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | S555-1196 |
| Compound Name: | N-[4-(cyclopent-3-ene-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-methoxyacetamide |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C18 H22 N2 O4 |
| Smiles: | COCC(Nc1ccc2c(CN(CCO2)C(C2CC=CC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8567 |
| logD: | 1.8567 |
| logSw: | -2.6468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.962 |
| InChI Key: | OOOYZWQQPZSNHI-UHFFFAOYSA-N |