3-(3-chlorophenyl)-5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
3-(3-chlorophenyl)-5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2338 |
| Compound Name: | 3-(3-chlorophenyl)-5-[2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 493.94 |
| Molecular Formula: | C25 H17 Cl F N3 O3 S |
| Smiles: | C1C(c2ccc(cc2)F)Sc2ccccc2N=C1C1=C(NC(N(C1=O)c1cccc(c1)[Cl])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4847 |
| logD: | -2.0867 |
| logSw: | -4.6854 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.66 |
| InChI Key: | VBYBUFBSLQDQHN-NRFANRHFSA-N |