N~2~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-N~2~-(methanesulfonyl)glycinamide
Chemical Structure Depiction of
N~2~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-N~2~-(methanesulfonyl)glycinamide
N~2~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-N~2~-(methanesulfonyl)glycinamide
Compound characteristics
| Compound ID: | J031-2344 |
| Compound Name: | N~2~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-N~2~-(methanesulfonyl)glycinamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C22 H26 N2 O7 S |
| Smiles: | CS(N(CC(NCc1ccc2c(c1)OCCCO2)=O)c1ccc2c(c1)OCCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0749 |
| logD: | 1.0749 |
| logSw: | -2.5455 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.336 |
| InChI Key: | OLTHULGQOXBHIL-UHFFFAOYSA-N |