6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1901 |
| Compound Name: | 6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | CN1C(=C(C2CC(c3ccc(c(c3)OC)O)Sc3ccccc3N=2)C(N(C)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3588 |
| logD: | -3.0226 |
| logSw: | -2.6435 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.011 |
| InChI Key: | DATCSVUMAJWWJA-SFHVURJKSA-N |