3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-1-benzopyran-7-yl acetate
3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | 3570-0002 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-4H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C22 H19 N O4 S |
| Smiles: | CCCc1cc2C(C(=C(C)Oc2cc1OC(C)=O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4269 |
| logD: | 5.4269 |
| logSw: | -5.4122 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.884 |
| InChI Key: | ZSKQILQZDXIRJM-UHFFFAOYSA-N |