8-methyl-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methyl-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methyl-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1906 |
| Compound Name: | 8-methyl-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C20 H23 N O3 |
| Smiles: | CC(C)c1ccc(cc1)NC(c1cc2c(cc1C)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2148 |
| logD: | 4.2147 |
| logSw: | -4.2798 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.484 |
| InChI Key: | RBDRPVSTMMPYNG-UHFFFAOYSA-N |