N-[(3-bromophenyl)methyl]-3-(7-oxo-3-phenyl[1,2]oxazolo[4,5-d]pyrimidin-6(7H)-yl)propanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-3-(7-oxo-3-phenyl[1,2]oxazolo[4,5-d]pyrimidin-6(7H)-yl)propanamide
N-[(3-bromophenyl)methyl]-3-(7-oxo-3-phenyl[1,2]oxazolo[4,5-d]pyrimidin-6(7H)-yl)propanamide
Compound characteristics
| Compound ID: | L429-0450 |
| Compound Name: | N-[(3-bromophenyl)methyl]-3-(7-oxo-3-phenyl[1,2]oxazolo[4,5-d]pyrimidin-6(7H)-yl)propanamide |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C21 H17 Br N4 O3 |
| Smiles: | C(CN1C=Nc2c(c3ccccc3)noc2C1=O)C(NCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8666 |
| logD: | 2.8666 |
| logSw: | -3.3983 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.697 |
| InChI Key: | ZREHOXBEGHWIQU-UHFFFAOYSA-N |