3-butyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
3-butyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2009 |
| Compound Name: | 3-butyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxypyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C23 H22 Cl N3 O3 S |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2ccc(cc2)[Cl])Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7123 |
| logD: | -1.4922 |
| logSw: | -4.7142 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.521 |
| InChI Key: | ISOVKPAUUCTNAS-IBGZPJMESA-N |