methyl 2-[3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-[3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | Y043-5702 |
| Compound Name: | methyl 2-[3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | Cc1c(C(=O)OC)sc(NC(CCN2C=Cc3cc(c(cc3CC2=O)OC)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7492 |
| logD: | 1.5965 |
| logSw: | -2.464 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.476 |
| InChI Key: | AMINKBLILSMHFK-UHFFFAOYSA-N |