3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2277 |
| Compound Name: | 3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C28 H25 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C(NC1=O)O)C1CC(c2ccc(cc2)OC)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8338 |
| logD: | -1.7376 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.203 |
| InChI Key: | JQSVMVKNLCFUOE-DEOSSOPVSA-N |