3-(4-chlorophenyl)-6-hydroxy-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-6-hydroxy-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-(4-chlorophenyl)-6-hydroxy-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2196 |
| Compound Name: | 3-(4-chlorophenyl)-6-hydroxy-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 496.01 |
| Molecular Formula: | C24 H18 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(C2CC(C3=C(NC(N(C3=O)c3ccc(cc3)[Cl])=O)O)=Nc3ccccc3S2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7131 |
| logD: | -1.8583 |
| logSw: | -4.6215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.678 |
| InChI Key: | MXOCOOQGPKHKGM-FQEVSTJZSA-N |