3-cyclohexyl-5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-cyclohexyl-5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
3-cyclohexyl-5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2086 |
| Compound Name: | 3-cyclohexyl-5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | CCOc1ccccc1C1CC(C2=C(NC(N(C3CCCCC3)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9957 |
| logD: | -1.2087 |
| logSw: | -4.2687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.703 |
| InChI Key: | MNBPFPXTEPNHPA-QHCPKHFHSA-N |