(5S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Chemical Structure Depiction of
(5S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
(5S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Compound characteristics
| Compound ID: | Y043-8050 |
| Compound Name: | (5S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | C1COc2ccc(cc2OC1)NC(N1C[C@H]2C[C@@H](C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2069 |
| logD: | 2.2068 |
| logSw: | -3.0175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.561 |
| InChI Key: | VXGOFTXJXVFISD-GJZGRUSLSA-N |