4-(1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl propane-1-sulfonate
Chemical Structure Depiction of
4-(1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl propane-1-sulfonate
4-(1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl propane-1-sulfonate
Compound characteristics
| Compound ID: | V015-5558 |
| Compound Name: | 4-(1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenyl propane-1-sulfonate |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | CCCS(=O)(=O)Oc1ccc(cc1CN1CCOCC1)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 3.217 |
| logD: | 3.2141 |
| logSw: | -3.3458 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.885 |
| InChI Key: | NCGFABMUEQUQMY-UHFFFAOYSA-N |