3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]propanamide
Chemical Structure Depiction of
3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]propanamide
3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | Y043-5696 |
| Compound Name: | 3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]propanamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | COc1cc2CC(N(CCC(Nc3ccc(cc3)N3CCCCS3(=O)=O)=O)C=Cc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2958 |
| logD: | 1.2958 |
| logSw: | -2.427 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.348 |
| InChI Key: | OHZNNTCLIPMPQB-UHFFFAOYSA-N |