3-cyclohexyl-5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-cyclohexyl-5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxypyrimidine-2,4(1H,3H)-dione
3-cyclohexyl-5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2074 |
| Compound Name: | 3-cyclohexyl-5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | CN(C)c1ccc(cc1)C1CC(C2=C(NC(N(C3CCCCC3)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5739 |
| logD: | -1.6306 |
| logSw: | -4.1437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.297 |
| InChI Key: | GCPQFBVECBSTMH-QHCPKHFHSA-N |