2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Chemical Structure Depiction of
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Compound characteristics
| Compound ID: | E005-0270 |
| Compound Name: | 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CC1=CC(N=C2c3ccccc3N(CC(NCCc3ccc(cc3)SC)=O)N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.302 |
| logD: | 2.302 |
| logSw: | -3.0068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.951 |
| InChI Key: | QRJFMKUWCPBSKU-UHFFFAOYSA-N |