| MolName | [3-(2-chlorophenyl)-5-[(E)-2-[3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-1,2-oxazol-4-yl]-morpholin-4-ylmethanone |
| MolecularFormula | C32H27N5O5Cl2 |
| Smiles | O=C(c1c(/C=C/c(cnc(N2CCOCC2)c23)c2onc3-c(cccc2)c2Cl)onc1-c(cccc1)c1Cl)N1CCOCC1 |
| InChI | InChI=1S/C32H27Cl2N5O5/c33-23-7-3-1-5-21(23)28-26(32(40)39-13-17-42-18-14-39)25(43-36-28)10-9-20-19-35-31(38-11-15-41-16-12-38)27-29(37-44-30(20)27)22-6-2-4-8-24(22)34/h1-10,19H,11-18H2 |
| InChIK | PMIQBSVVLXDAAO-UHFFFAOYSA-N |
| TotalMolweight | 632.502 |
| Molweight | 632.502 |
| MonoisotopicMass | 631.138924 |
| CLogP | 5.4643 |
| CLogS | -8.042 |
| H Acceptors | 10 |
| TotalSurfaceArea | 461.57 |
| Relative PSA | 0.2194 |
| PolarSurfaceArea | 106.96 |
| Druglikeness | 4.9204 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.38636 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-(2-chlorophenyl)-5-[(E)-2-[3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-1,2-oxazol-4-yl]-morpholin-4-ylmethanone | 2 - [3-(2-chlorophenyl)-5-[(E)-2-[3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-1,2-oxazol-4-yl]-morpholin-4-ylmethanone