8-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1881 |
| Compound Name: | 8-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C21 H23 N O5 |
| Smiles: | Cc1cc2c(cc1CNC(c1cc3c(cc1C)OCCCO3)=O)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.2122 |
| logD: | 2.2122 |
| logSw: | -2.661 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.629 |
| InChI Key: | OXPTVELRWWDHLB-UHFFFAOYSA-N |