6-hydroxy-3-methyl-5-[2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-3-methyl-5-[2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
6-hydroxy-3-methyl-5-[2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2457 |
| Compound Name: | 6-hydroxy-3-methyl-5-[2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C23 H23 N3 O6 S |
| Smiles: | CN1C(C(=C(NC1=O)O)C1CC(c2ccc(c(c2OC)OC)OC)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6815 |
| logD: | -3.523 |
| logSw: | -3.2177 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.373 |
| InChI Key: | AOGWLIJVICBKRP-KRWDZBQOSA-N |