1-(2,2-dimethyloxan-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2,2-dimethyloxan-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,2-dimethyloxan-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0193 |
| Compound Name: | 1-(2,2-dimethyloxan-4-yl)-4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | Cc1c2C(c3ccc(c(COC)c3)OC)SCC(Nc2n(C2CCOC(C)(C)C2)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1171 |
| logD: | 3.1171 |
| logSw: | -3.3036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.508 |
| InChI Key: | LNJMTQSVOWHKDB-UHFFFAOYSA-N |