5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2459 |
| Compound Name: | 5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CN(C)c1ccc(cc1)C1CC(C2=C(NC(N(C)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8936 |
| logD: | -3.3109 |
| logSw: | -3.438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.113 |
| InChI Key: | UDWAVKVVOLKILS-SFHVURJKSA-N |