2-[(4-chlorophenyl)sulfanyl]-N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}acetamide
Chemical Structure Depiction of
2-[(4-chlorophenyl)sulfanyl]-N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}acetamide
2-[(4-chlorophenyl)sulfanyl]-N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}acetamide
Compound characteristics
| Compound ID: | F172-0823 |
| Compound Name: | 2-[(4-chlorophenyl)sulfanyl]-N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}acetamide |
| Molecular Weight: | 548.04 |
| Molecular Formula: | C24 H22 Cl N3 O6 S2 |
| Smiles: | CCS(c1ccc(c(c1)NC(CSc1ccc(cc1)[Cl])=O)OCC1=CC(N2C(C=C(C)O2)=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4923 |
| logD: | 2.4902 |
| logSw: | -3.3719 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.232 |
| InChI Key: | SGTLCAIWDBDLCC-UHFFFAOYSA-N |