6-hydroxy-1,3-dimethyl-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
6-hydroxy-1,3-dimethyl-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione
6-hydroxy-1,3-dimethyl-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: | D364-1902 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(C2=C(N(C)C(N(C)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4817 |
| logD: | -0.8997 |
| logSw: | -4.1545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.832 |
| InChI Key: | GTGIEOAHUHCSNR-FQEVSTJZSA-N |