5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(2-methylphenyl)pyrimidine-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-(2-methylphenyl)pyrimidine-2,4(1H,3H)-dione
5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2256 |
| Compound Name: | 5-[2-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H21 N3 O5 S |
| Smiles: | Cc1ccccc1N1C(C(=C(NC1=O)O)C1CC(c2ccc3c(c2)OCO3)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1746 |
| logD: | -2.3969 |
| logSw: | -4.1606 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.474 |
| InChI Key: | DNCXBTSBGAYMFU-QHCPKHFHSA-N |