3-butyl-6-hydroxy-5-[2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-[2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-butyl-6-hydroxy-5-[2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2008 |
| Compound Name: | 3-butyl-6-hydroxy-5-[2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2cc(c(c(c2)OC)O)OC)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1204 |
| logD: | -3.084 |
| logSw: | -3.3904 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.261 |
| InChI Key: | JNZNGSYNPIAFEW-FQEVSTJZSA-N |