N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
Compound characteristics
| Compound ID: | J031-1114 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C20 H21 N O4 |
| Smiles: | CC1Cc2cc(ccc2O1)C(NCc1ccc2c(c1)OCCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6809 |
| logD: | 2.6809 |
| logSw: | -3.0224 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.208 |
| InChI Key: | IZOFMNIBWFCJLA-CYBMUJFWSA-N |