N-[2-methyl-3-(1H-pyrrol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[2-methyl-3-(1H-pyrrol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[2-methyl-3-(1H-pyrrol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1832 |
| Compound Name: | N-[2-methyl-3-(1H-pyrrol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C21 H20 N2 O3 |
| Smiles: | Cc1c(cccc1n1cccc1)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5331 |
| logD: | 3.5331 |
| logSw: | -3.7356 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.471 |
| InChI Key: | UCKQBAZDYQQPHS-UHFFFAOYSA-N |