1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 4643-0176 |
| Compound Name: | 1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1c2c(c3ccccc3)nn(c3ccccc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6008 |
| logD: | 4.6008 |
| logSw: | -4.3756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.322 |
| InChI Key: | GQUWQXDAHYJUGG-AREMUKBSSA-N |