5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2401 |
| Compound Name: | 5-[2-(2-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C22 H21 N3 O3 S2 |
| Smiles: | CCOc1ccccc1C1CC(C2=C(NC(N(C)C2=O)=S)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4403 |
| logD: | -1.6815 |
| logSw: | -3.7315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.356 |
| InChI Key: | NUBSAZCEQDZMRJ-SFHVURJKSA-N |