5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2354 |
| Compound Name: | 5-{2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 452.6 |
| Molecular Formula: | C23 H24 N4 O2 S2 |
| Smiles: | CN(C)c1ccc(cc1)C1CC(C2=C(N(C)C(N(C)C2=O)=S)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.927 |
| logD: | -1.3717 |
| logSw: | -3.3 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.329 |
| InChI Key: | XNBOJZDULNYVBL-IBGZPJMESA-N |