3-(3-chlorophenyl)-6-hydroxy-5-[2-(3-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-6-hydroxy-5-[2-(3-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-(3-chlorophenyl)-6-hydroxy-5-[2-(3-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2337 |
| Compound Name: | 3-(3-chlorophenyl)-6-hydroxy-5-[2-(3-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: | Cc1ccsc1C1CC(C2=C(NC(N(C2=O)c2cccc(c2)[Cl])=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6187 |
| logD: | -1.9528 |
| logSw: | -4.4351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.678 |
| InChI Key: | TYMHARCVTGXEMT-IBGZPJMESA-N |