4-(1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
4-(1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl 2-cyanobenzene-1-sulfonate
4-(1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V007-7731 |
| Compound Name: | 4-(1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Salt: | not_available |
| Smiles: | C1COCCN1Cc1cc(ccc1OS(c1ccccc1C#N)(=O)=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5101 |
| logD: | 3.5097 |
| logSw: | -3.8012 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.594 |
| InChI Key: | CHGKKBJJUQJGET-UHFFFAOYSA-N |