5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2233 |
| Compound Name: | 5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 489.52 |
| Molecular Formula: | C26 H20 F N3 O4 S |
| Smiles: | COc1ccccc1N1C(C(=C(NC1=O)O)C1CC(c2ccc(cc2)F)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7046 |
| logD: | -2.8669 |
| logSw: | -4.0278 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.989 |
| InChI Key: | TXDMKSOPZZFJGU-QFIPXVFZSA-N |