N-benzyl-4-[3-(2-methoxyphenyl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[3-(2-methoxyphenyl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[3-(2-methoxyphenyl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M248-0486 |
| Compound Name: | N-benzyl-4-[3-(2-methoxyphenyl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C27 H28 N2 O4 |
| Smiles: | COc1ccccc1CCC(N1CCOc2ccc(cc2C1)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1082 |
| logD: | 4.1081 |
| logSw: | -4.2885 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.347 |
| InChI Key: | FLUMZLZTGBWXTL-UHFFFAOYSA-N |