4-(3-bromophenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-bromophenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-bromophenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0482 |
| Compound Name: | 4-(3-bromophenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 444.35 |
| Molecular Formula: | C20 H18 Br N3 O2 S |
| Smiles: | Cc1c2C(c3cccc(c3)[Br])SCC(Nc2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4174 |
| logD: | 4.4173 |
| logSw: | -4.4118 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.966 |
| InChI Key: | WUGKUJFLVKGAFK-LJQANCHMSA-N |