(3S)-N-(2-methoxyethyl)-3-methyl-4-[(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
(3S)-N-(2-methoxyethyl)-3-methyl-4-[(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-N-(2-methoxyethyl)-3-methyl-4-[(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0220 |
| Compound Name: | (3S)-N-(2-methoxyethyl)-3-methyl-4-[(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 388.48 |
| Molecular Formula: | C20 H24 N2 O4 S |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cc1cccs1)=O)C(NCCOC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2695 |
| logD: | 2.2695 |
| logSw: | -2.989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.974 |
| InChI Key: | ARUOBZBPOHXRAC-AWEZNQCLSA-N |