1-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-2-(4-chlorophenyl)-2-hydroxy-2,3,7,8,9,10-hexahydro-1H,11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-11-one
Chemical Structure Depiction of
1-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-2-(4-chlorophenyl)-2-hydroxy-2,3,7,8,9,10-hexahydro-1H,11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-11-one
1-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-2-(4-chlorophenyl)-2-hydroxy-2,3,7,8,9,10-hexahydro-1H,11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-11-one
Compound characteristics
| Compound ID: | K843-0037 |
| Compound Name: | 1-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-2-(4-chlorophenyl)-2-hydroxy-2,3,7,8,9,10-hexahydro-1H,11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-11-one |
| Molecular Weight: | 571.12 |
| Molecular Formula: | C25 H27 Cl N8 O2 S2 |
| Smiles: | CCNc1nc(NCC)nc(n1)N1C(CSC2=Nc3c(C(N12)=O)c1CCCCc1s3)(c1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9336 |
| logD: | 5.9334 |
| logSw: | -5.8778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.287 |
| InChI Key: | CBQVEBUBLOECBE-VWLOTQADSA-N |