methyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
methyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | J031-1874 |
| Compound Name: | methyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate |
| Molecular Weight: | 327.33 |
| Molecular Formula: | C18 H17 N O5 |
| Smiles: | COC(c1ccccc1NC(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4746 |
| logD: | 2.4128 |
| logSw: | -3.1206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.96 |
| InChI Key: | HFMGZYULPLCHRF-UHFFFAOYSA-N |