5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1928 |
| Compound Name: | 5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C1CC(C2=C(NC(N(CC=C)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6615 |
| logD: | -2.2563 |
| logSw: | -3.7061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.645 |
| InChI Key: | VFTPTLHUJUAYAX-FQEVSTJZSA-N |