3-butyl-5-[2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-5-[2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
3-butyl-5-[2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2000 |
| Compound Name: | 3-butyl-5-[2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2cc(ccc2OC)OC)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2676 |
| logD: | -1.9369 |
| logSw: | -3.9854 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.695 |
| InChI Key: | SXOXHZGZJQCPCK-NRFANRHFSA-N |