4-(2,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2627 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Smiles: | Cc1c2C(c3cc(ccc3OC)OC)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1396 |
| logD: | 2.1393 |
| logSw: | -2.9744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.207 |
| InChI Key: | BBMDEXJUCFUHID-CQSZACIVSA-N |