(3S)-4-[(2,5-dimethoxyphenyl)acetyl]-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
(3S)-4-[(2,5-dimethoxyphenyl)acetyl]-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-4-[(2,5-dimethoxyphenyl)acetyl]-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0261 |
| Compound Name: | (3S)-4-[(2,5-dimethoxyphenyl)acetyl]-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C24 H30 N2 O6 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cc1cc(ccc1OC)OC)=O)C(NCCOC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7869 |
| logD: | 2.7869 |
| logSw: | -3.4083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.13 |
| InChI Key: | XCKDVJAFZJNZDB-MRXNPFEDSA-N |