1-(4-methoxyphenyl)-3-methyl-4-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-3-methyl-4-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-methoxyphenyl)-3-methyl-4-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0224 |
| Compound Name: | 1-(4-methoxyphenyl)-3-methyl-4-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | Cc1ccccc1C1c2c(C)nn(c3ccc(cc3)OC)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9593 |
| logD: | 3.9592 |
| logSw: | -4.1431 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.966 |
| InChI Key: | HOZYEEQSCXDIOB-HXUWFJFHSA-N |