3-cyclohexyl-6-hydroxy-5-[2-(4-methoxyphenyl)-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-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-cyclohexyl-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2067 |
| Compound Name: | 3-cyclohexyl-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | COc1ccc(cc1)C1CC(C2=C(NC(N(C3CCCCC3)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4662 |
| logD: | -1.7382 |
| logSw: | -4.1511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.036 |
| InChI Key: | WLQXIXYLOXQXRX-QFIPXVFZSA-N |