3-methyl-4-[4-(pentyloxy)phenyl]-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-4-[4-(pentyloxy)phenyl]-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-4-[4-(pentyloxy)phenyl]-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5897-0201 |
| Compound Name: | 3-methyl-4-[4-(pentyloxy)phenyl]-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | CCCCCOc1ccc(cc1)C1c2c(C)nn(c3ccccc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4618 |
| logD: | 5.4617 |
| logSw: | -5.2321 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.84 |
| InChI Key: | VOLASGSPYHOEAQ-HSZRJFAPSA-N |