methyl 2-[({4-(5-methyl-1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenoxy}sulfonyl)methyl]benzoate
Chemical Structure Depiction of
methyl 2-[({4-(5-methyl-1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenoxy}sulfonyl)methyl]benzoate
methyl 2-[({4-(5-methyl-1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenoxy}sulfonyl)methyl]benzoate
Compound characteristics
| Compound ID: | V003-4638 |
| Compound Name: | methyl 2-[({4-(5-methyl-1,3-benzoxazol-2-yl)-2-[(morpholin-4-yl)methyl]phenoxy}sulfonyl)methyl]benzoate |
| Molecular Weight: | 536.6 |
| Molecular Formula: | C28 H28 N2 O7 S |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(c(CN3CCOCC3)c1)OS(Cc1ccccc1C(=O)OC)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.2798 |
| logD: | 4.2769 |
| logSw: | -4.2369 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.787 |
| InChI Key: | STMNWZMUPUQIHK-UHFFFAOYSA-N |