5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1906 |
| Compound Name: | 5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | CN1C(=C(C2CC(c3ccc4c(c3)OCO4)Sc3ccccc3N=2)C(N(C)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0738 |
| logD: | -2.3076 |
| logSw: | -3.3726 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.948 |
| InChI Key: | BOJKEPPKVGVBTJ-SFHVURJKSA-N |