3-{[3-methoxy-4-(3-methylbutoxy)phenyl]methyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-{[3-methoxy-4-(3-methylbutoxy)phenyl]methyl}-1,3-benzothiazol-2(3H)-one
3-{[3-methoxy-4-(3-methylbutoxy)phenyl]methyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | 7074-0065 |
| Compound Name: | 3-{[3-methoxy-4-(3-methylbutoxy)phenyl]methyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C20 H23 N O3 S |
| Smiles: | CC(C)CCOc1ccc(CN2C(=O)Sc3ccccc23)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0305 |
| logD: | 5.0305 |
| logSw: | -4.5161 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.9461 |
| InChI Key: | DGTHTSASIABUEO-UHFFFAOYSA-N |