N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-4-methylbenzamide
Chemical Structure Depiction of
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-4-methylbenzamide
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | J031-0994 |
| Compound Name: | N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-4-methylbenzamide |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C20 H23 N O3 |
| Smiles: | CCC(c1ccc2c(c1)OCCCO2)NC(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6173 |
| logD: | 3.6173 |
| logSw: | -3.6349 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.436 |
| InChI Key: | WWZBBOXUOXVBEK-KRWDZBQOSA-N |