5-[2-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
5-[2-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1905 |
| Compound Name: | 5-[2-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 472.36 |
| Molecular Formula: | C21 H18 Br N3 O3 S |
| Smiles: | CN1C(=C(C2CC(c3ccc(cc3)[Br])Sc3ccccc3N=2)C(N(C)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9774 |
| logD: | -1.404 |
| logSw: | -4.009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.832 |
| InChI Key: | OISKEYIJOHMFDZ-KRWDZBQOSA-N |