4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2696 |
| Compound Name: | 4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)OCc3ccccc3[Cl])SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6802 |
| logD: | 3.6798 |
| logSw: | -4.0891 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.977 |
| InChI Key: | XWVKVPBRFLOTFO-HXUWFJFHSA-N |