3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2(3H)-one
3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | 7074-0072 |
| Compound Name: | 3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 313.42 |
| Molecular Formula: | C18 H19 N O2 S |
| Smiles: | CCCCOc1ccc(CN2C(=O)Sc3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1247 |
| logD: | 5.1247 |
| logSw: | -4.8409 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.229 |
| InChI Key: | CIKCRMYQOQLASG-UHFFFAOYSA-N |