8-[(azepan-1-yl)methyl]-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3570-0553 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C24 H24 N2 O3 S |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCCCCC3)c2O1)O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1169 |
| logD: | 4.2058 |
| logSw: | -4.579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.342 |
| InChI Key: | DPTXOIFVCFTEAY-UHFFFAOYSA-N |