3-methyl-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
3-methyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-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: | D361-2709 |
| Compound Name: | 3-methyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 317.41 |
| Molecular Formula: | C16 H19 N3 O2 S |
| Smiles: | CC(C)Oc1ccc(cc1)C1c2c(C)n[nH]c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6805 |
| logD: | 2.6802 |
| logSw: | -3.0911 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.835 |
| InChI Key: | NHJBURDJDQBSGD-OAHLLOKOSA-N |