6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1921 |
| Compound Name: | 6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | CN1C(=C(C2CC(c3cccc(c3)O)Sc3ccccc3N=2)C(N(C)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6759 |
| logD: | -2.7055 |
| logSw: | -2.8323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.449 |
| InChI Key: | PYXAFDHQSQJYNH-KRWDZBQOSA-N |