N-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1456 |
| Compound Name: | N-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | C1CC1C(Nc1ccc2c(CN(CCO2)C(C2COc3ccccc3O2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.95 |
| logD: | 2.95 |
| logSw: | -3.2697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.882 |
| InChI Key: | XNVVCULHAVMROS-FQEVSTJZSA-N |