3-{[3-methoxy-4-(3-methylbutoxy)phenyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{[3-methoxy-4-(3-methylbutoxy)phenyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one
3-{[3-methoxy-4-(3-methylbutoxy)phenyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 6494-0091 |
| Compound Name: | 3-{[3-methoxy-4-(3-methylbutoxy)phenyl]methyl}-5-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C21 H25 N O4 |
| Smiles: | CC(C)CCOc1ccc(CN2C(=O)Oc3ccc(C)cc23)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.9959 |
| logD: | 4.9959 |
| logSw: | -4.5767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.202 |
| InChI Key: | XFOZWOVIRQOMNT-UHFFFAOYSA-N |