3-benzyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
3-benzyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2114 |
| Compound Name: | 3-benzyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C26 H20 Cl N3 O3 S |
| Smiles: | C1C(c2ccc(cc2)[Cl])Sc2ccccc2N=C1C1=C(NC(N(Cc2ccccc2)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.002 |
| logD: | -1.5504 |
| logSw: | -5.1454 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.271 |
| InChI Key: | LAWPGXBEVVHHFQ-QFIPXVFZSA-N |