5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1894 |
| Compound Name: | 5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | CN1C(=C(C2CC(c3ccc(c(c3)OC)OC)Sc3ccccc3N=2)C(N(C)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7756 |
| logD: | -2.6058 |
| logSw: | -3.1918 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.093 |
| InChI Key: | KIGGJYSMIIMRGC-IBGZPJMESA-N |