N-(3-chloro-4-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-chloro-4-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1898 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 331.8 |
| Molecular Formula: | C18 H18 Cl N O3 |
| Smiles: | Cc1cc2c(cc1C(Nc1ccc(C)c(c1)[Cl])=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.2668 |
| logD: | 4.264 |
| logSw: | -4.4965 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.484 |
| InChI Key: | VMRGVAFXUGVFJA-UHFFFAOYSA-N |