N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopentanecarboxamide
Chemical Structure Depiction of
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopentanecarboxamide
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopentanecarboxamide
Compound characteristics
| Compound ID: | V028-8342 |
| Compound Name: | N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}cyclopentanecarboxamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C24 H28 N2 O5 |
| Smiles: | COc1ccc(CN2Cc3cc(ccc3OCC2=O)NC(C2CCCC2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.127 |
| logD: | 3.127 |
| logSw: | -3.2873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.4 |
| InChI Key: | NFFOOBQDVWJITG-UHFFFAOYSA-N |