N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(methanesulfonyl)piperazin-1-yl]-4-oxobutanamide
Chemical Structure Depiction of
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(methanesulfonyl)piperazin-1-yl]-4-oxobutanamide
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(methanesulfonyl)piperazin-1-yl]-4-oxobutanamide
Compound characteristics
| Compound ID: | Y042-6199 |
| Compound Name: | N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(methanesulfonyl)piperazin-1-yl]-4-oxobutanamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C18 H25 N3 O6 S |
| Smiles: | CS(N1CCN(CC1)C(CCC(Nc1ccc2c(c1)OCCCO2)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.569 |
| logD: | -0.5691 |
| logSw: | -2.1678 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.946 |
| InChI Key: | JVCHDCZVNAVFHJ-UHFFFAOYSA-N |