8-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0493 |
| Compound Name: | 8-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C21 H23 N O4 |
| Smiles: | CC1Cc2cc(CNC(c3cc4c(cc3C)OCCCO4)=O)ccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2897 |
| logD: | 3.2897 |
| logSw: | -3.4158 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.208 |
| InChI Key: | IHYBVAOIIDMXRR-CQSZACIVSA-N |