4-[4-methoxy-3-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-methoxy-3-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-methoxy-3-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 4643-0172 |
| Compound Name: | 4-[4-methoxy-3-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | COCc1cc(ccc1OC)C1c2c(c3ccccc3)nn(c3ccccc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7098 |
| logD: | 4.7098 |
| logSw: | -4.4981 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.398 |
| InChI Key: | BKRSCWITVJJBRB-AREMUKBSSA-N |