N-(5-carbamoyl-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(5-carbamoyl-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(5-carbamoyl-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-2404 |
| Compound Name: | N-(5-carbamoyl-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C18 H18 N2 O4 |
| Smiles: | Cc1ccc(cc1NC(c1ccc2c(c1)OCCCO2)=O)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4725 |
| logD: | 1.4723 |
| logSw: | -2.1034 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.845 |
| InChI Key: | JVVMCIYQXDIPEQ-UHFFFAOYSA-N |