4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0187 |
| Compound Name: | 4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C24 H33 N3 O3 S |
| Smiles: | CCCCOc1ccc(cc1)C1c2c(C)nn(C3CCOC(C)(C)C3)c2NC(CS1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7654 |
| logD: | 4.7654 |
| logSw: | -4.4177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.872 |
| InChI Key: | CELZCUZCXWCFLQ-UHFFFAOYSA-N |