N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide
Compound characteristics
Compound ID: | V017-4608 |
Compound Name: | N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-dimethoxybenzamide |
Molecular Weight: | 492.53 |
Molecular Formula: | C27 H28 N2 O7 |
Smiles: | COc1ccc(CN2Cc3cc(ccc3OCC2=O)NC(c2c(cccc2OC)OC)=O)c(c1)OC |
Stereo: | ACHIRAL |
logP: | 2.8803 |
logD: | 2.8212 |
logSw: | -3.4641 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.103 |
InChI Key: | XEWXFFFADKFQTI-UHFFFAOYSA-N |