2-chloro-N-{5-oxo-2-[4-(propan-2-yl)phenyl]-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl}benzamide
Chemical Structure Depiction of
2-chloro-N-{5-oxo-2-[4-(propan-2-yl)phenyl]-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl}benzamide
2-chloro-N-{5-oxo-2-[4-(propan-2-yl)phenyl]-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl}benzamide
Compound characteristics
| Compound ID: | J062-0532 |
| Compound Name: | 2-chloro-N-{5-oxo-2-[4-(propan-2-yl)phenyl]-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl}benzamide |
| Molecular Weight: | 408.84 |
| Molecular Formula: | C21 H17 Cl N4 O3 |
| Smiles: | CC(C)c1ccc(cc1)C1=NN2C(=NC=C(C2=O)NC(c2ccccc2[Cl])=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.3967 |
| logD: | 0.9823 |
| logSw: | -4.0595 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.04 |
| InChI Key: | QNIWHXATKGLSRP-UHFFFAOYSA-N |