5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2466 |
| Compound Name: | 5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | CN1C(C(=C(NC1=O)O)C1CC(c2ccc3c(c2)OCO3)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7339 |
| logD: | -3.4706 |
| logSw: | -3.2792 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.424 |
| InChI Key: | LXBZWGDMSUPLQN-KRWDZBQOSA-N |