1,3-diphenyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1,3-diphenyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1,3-diphenyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 4643-0180 |
| Compound Name: | 1,3-diphenyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C27 H25 N3 O2 S |
| Smiles: | CC(C)Oc1ccc(cc1)C1c2c(c3ccccc3)nn(c3ccccc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5923 |
| logD: | 5.5923 |
| logSw: | -5.4955 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.147 |
| InChI Key: | DBTGCHOIUAQEOV-AREMUKBSSA-N |