5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | D364-2471 |
Compound Name: | 5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 423.49 |
Molecular Formula: | C22 H21 N3 O4 S |
Smiles: | CCOc1ccccc1C1CC(C2=C(NC(N(C)C2=O)=O)O)=Nc2ccccc2S1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3154 |
logD: | -2.889 |
logSw: | -3.6053 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.519 |
InChI Key: | JDYZJWBGYJVPPW-SFHVURJKSA-N |