1-(1,3-benzothiazol-2-yl)-4-(3,4-dihydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-(3,4-dihydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(1,3-benzothiazol-2-yl)-4-(3,4-dihydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0059 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-(3,4-dihydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C20 H16 N4 O3 S2 |
| Smiles: | Cc1c2C(c3ccc(c(c3)O)O)SCC(Nc2n(c2nc3ccccc3s2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5181 |
| logD: | 3.5013 |
| logSw: | -3.5197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.054 |
| InChI Key: | WLROSBWHGPMIMH-GOSISDBHSA-N |