3-cyclohexyl-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-cyclohexyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione
3-cyclohexyl-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: | D364-2077 |
| Compound Name: | 3-cyclohexyl-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: | 489.64 |
| Molecular Formula: | C28 H31 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(C2=C(NC(N(C3CCCCC3)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8221 |
| logD: | -0.3824 |
| logSw: | -5.3239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.493 |
| InChI Key: | QNGUMYWJPUCYBV-DEOSSOPVSA-N |