6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methylpyrimidine-2,4(1H,3H)-dione
6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2479 |
| Compound Name: | 6-hydroxy-5-[2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | CN1C(C(=C(NC1=O)O)C1CC(c2ccc(cc2)O)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1838 |
| logD: | -4.0207 |
| logSw: | -2.6392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.925 |
| InChI Key: | KONLCDTWWZUSTN-INIZCTEOSA-N |