4-(5-methyl-1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
4-(5-methyl-1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl 2-cyanobenzene-1-sulfonate
4-(5-methyl-1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-4626 |
| Compound Name: | 4-(5-methyl-1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C26 H23 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(c(CN3CCOCC3)c1)OS(c1ccccc1C#N)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 3.7255 |
| logD: | 3.7252 |
| logSw: | -3.8437 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.594 |
| InChI Key: | WNWRAFIXGPZILJ-UHFFFAOYSA-N |