3-benzyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione
3-benzyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2112 |
| Compound Name: | 3-benzyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(C2=C(NC(N(Cc3ccccc3)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7455 |
| logD: | -0.807 |
| logSw: | -5.3265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.271 |
| InChI Key: | FKYYRRWOTBVZIC-VWLOTQADSA-N |