(3S)-N-(2-methoxyethyl)-3-methyl-4-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
(3S)-N-(2-methoxyethyl)-3-methyl-4-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-N-(2-methoxyethyl)-3-methyl-4-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0259 |
| Compound Name: | (3S)-N-(2-methoxyethyl)-3-methyl-4-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C20 H23 N3 O4 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1ccncc1)=O)C(NCCOC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3867 |
| logD: | 1.3843 |
| logSw: | -1.7671 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.911 |
| InChI Key: | VHFVLYHGUHHEPE-AWEZNQCLSA-N |