1-(1,3-benzothiazol-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(1,3-benzothiazol-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0024 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C21 H18 N4 O3 S2 |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)O)SCC(Nc2n(c2nc3ccccc3s2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8103 |
| logD: | 3.8028 |
| logSw: | -3.696 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.136 |
| InChI Key: | SEUMZTNZAZRDGX-LJQANCHMSA-N |