4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8019-6794 |
| Compound Name: | 4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 275.33 |
| Molecular Formula: | C13 H13 N3 O2 S |
| Smiles: | COc1ccc(cc1)C1c2cn[nH]c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8292 |
| logD: | 1.8292 |
| logSw: | -2.2855 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.929 |
| InChI Key: | DFQKFOSMFZBGFZ-GFCCVEGCSA-N |