3-{[4-(3-methylbutoxy)phenyl]methyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{[4-(3-methylbutoxy)phenyl]methyl}-1,3-benzoxazol-2(3H)-one
3-{[4-(3-methylbutoxy)phenyl]methyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | D011-2213 |
| Compound Name: | 3-{[4-(3-methylbutoxy)phenyl]methyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C19 H21 N O3 |
| Smiles: | CC(C)CCOc1ccc(CN2C(=O)Oc3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9009 |
| logD: | 4.9009 |
| logSw: | -4.4406 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.4847 |
| InChI Key: | ROORSYXBDFXRNU-UHFFFAOYSA-N |