N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxamide
Compound characteristics
| Compound ID: | S515-0700 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxo-2-[(pyridin-3-yl)methyl]azepane-2-carboxamide |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | C1CCC(Cc2cccnc2)(C(Nc2ccc3c(c2)OCCO3)=O)NC(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7748 |
| logD: | 0.7742 |
| logSw: | -1.3549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.774 |
| InChI Key: | KQRPMRPOKRXVEX-OAQYLSRUSA-N |