6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1936 |
| Compound Name: | 6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | COc1cc(ccc1O)C1CC(C2=C(NC(N(CC=C)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5078 |
| logD: | -3.41 |
| logSw: | -2.7882 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.7 |
| InChI Key: | SIXHMYFKLJNOQN-IBGZPJMESA-N |