8-methyl-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methyl-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methyl-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0501 |
| Compound Name: | 8-methyl-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C21 H25 N O4 |
| Smiles: | CC(C)Oc1ccc(CNC(c2cc3c(cc2C)OCCCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5068 |
| logD: | 3.5068 |
| logSw: | -3.6459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.609 |
| InChI Key: | YAIWDSSSBVHVNX-UHFFFAOYSA-N |