1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0180 |
| Compound Name: | 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C21 H27 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1c2c(C)nn(C3CCOC(C)(C)C3)c2NC(CS1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7565 |
| logD: | 3.7564 |
| logSw: | -3.8808 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.454 |
| InChI Key: | WQZYJOMTGPABST-UHFFFAOYSA-N |