(3S)-N-(2-methoxyethyl)-3-methyl-4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
(3S)-N-(2-methoxyethyl)-3-methyl-4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-N-(2-methoxyethyl)-3-methyl-4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0216 |
| Compound Name: | (3S)-N-(2-methoxyethyl)-3-methyl-4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C19 H28 N2 O4 |
| Smiles: | CC(C)CC(N1Cc2cc(ccc2OC[C@@H]1C)C(NCCOC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4636 |
| logD: | 2.4636 |
| logSw: | -2.9829 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.227 |
| InChI Key: | XEQNFJBCLHLANE-CQSZACIVSA-N |