6-hydroxy-5-[2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-5-[2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
6-hydroxy-5-[2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1938 |
| Compound Name: | 6-hydroxy-5-[2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C24 H23 N3 O6 S |
| Smiles: | COc1cc(cc(c1O)OC)C1CC(C2=C(NC(N(CC=C)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2954 |
| logD: | -3.6224 |
| logSw: | -2.8228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.261 |
| InChI Key: | FNNHBSZLGCCGJM-IBGZPJMESA-N |