3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 4356-0460 |
Compound Name: | 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
Molecular Weight: | 407.49 |
Molecular Formula: | C22 H21 N3 O3 S |
Smiles: | CN1CCN(CC1)Cc1c(ccc2C=C(C(=O)Oc12)c1nc2ccccc2s1)O |
Stereo: | ACHIRAL |
logP: | 3.3431 |
logD: | 2.5441 |
logSw: | -3.5458 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.051 |
InChI Key: | ZEXHOJSTSDCKLT-UHFFFAOYSA-N |