4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]benzamide
Chemical Structure Depiction of
4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]benzamide
4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]benzamide
Compound characteristics
| Compound ID: | J031-1013 |
| Compound Name: | 4-bromo-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]benzamide |
| Molecular Weight: | 390.28 |
| Molecular Formula: | C19 H20 Br N O3 |
| Smiles: | CCC(c1ccc2c(c1)OCCCO2)NC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0278 |
| logD: | 4.0278 |
| logSw: | -4.0942 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.436 |
| InChI Key: | NIRNETYMZVQCPR-INIZCTEOSA-N |