3-methyl-1,4-bis(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-1,4-bis(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-1,4-bis(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2469 |
| Compound Name: | 3-methyl-1,4-bis(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C21 H21 N3 O S |
| Smiles: | Cc1ccccc1C1c2c(C)nn(c3ccccc3C)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5069 |
| logD: | 4.5067 |
| logSw: | -4.2099 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.121 |
| InChI Key: | BUMRJTSKZDVIGM-HXUWFJFHSA-N |