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 |