4-(5-bromo-2-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-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-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(5-bromo-2-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2497 |
| Compound Name: | 4-(5-bromo-2-methoxyphenyl)-3-methyl-1-(2-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: | Cc1ccccc1n1c2c(C(c3cc(ccc3OC)[Br])SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9913 |
| logD: | 4.991 |
| logSw: | -4.6236 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.752 |
| InChI Key: | AYNUVXUCIJBVTQ-HXUWFJFHSA-N |