4-(5-bromo-2-methoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(5-bromo-2-methoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(5-bromo-2-methoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0517 |
| Compound Name: | 4-(5-bromo-2-methoxyphenyl)-3-methyl-1-phenyl-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(c3cc(ccc3OC)[Br])SCC(Nc2n(c2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3397 |
| logD: | 4.3396 |
| logSw: | -4.3389 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.053 |
| InChI Key: | BVPXHWBITRSMEC-LJQANCHMSA-N |