4-(3-bromo-4-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-bromo-4-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-bromo-4-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1885 |
| Compound Name: | 4-(3-bromo-4-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 458.38 |
| Molecular Formula: | C21 H20 Br N3 O2 S |
| Smiles: | Cc1cccc(c1)n1c2c(C(c3ccc(c(c3)[Br])OC)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5011 |
| logD: | 4.5011 |
| logSw: | -4.3743 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.053 |
| InChI Key: | ZSHAARXBZKILDX-HXUWFJFHSA-N |