5-(4-methylphenyl)-3-{2-oxo-2-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]ethyl}-1,3-oxazol-2(3H)-one
Chemical Structure Depiction of
5-(4-methylphenyl)-3-{2-oxo-2-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]ethyl}-1,3-oxazol-2(3H)-one
5-(4-methylphenyl)-3-{2-oxo-2-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]ethyl}-1,3-oxazol-2(3H)-one
Compound characteristics
| Compound ID: | P800-0396 |
| Compound Name: | 5-(4-methylphenyl)-3-{2-oxo-2-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]ethyl}-1,3-oxazol-2(3H)-one |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H23 N5 O3 |
| Smiles: | Cc1ccc(cc1)C1=CN(CC(N2CCCN(CC2)c2ncccn2)=O)C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.3489 |
| logD: | 2.3488 |
| logSw: | -2.614 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.757 |
| InChI Key: | NZTGUPNZDOAYLZ-UHFFFAOYSA-N |