5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2454 |
| Compound Name: | 5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | CN1C(C(=C(NC1=O)O)C1CC(c2ccc(c(c2)OC)OC)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4357 |
| logD: | -3.7688 |
| logSw: | -2.8939 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.569 |
| InChI Key: | CFTMNUXIPNTVAJ-SFHVURJKSA-N |