3-tert-butyl-1-(4-fluorophenyl)-4-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-1-(4-fluorophenyl)-4-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-1-(4-fluorophenyl)-4-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V020-1498 |
| Compound Name: | 3-tert-butyl-1-(4-fluorophenyl)-4-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C29 H33 F N4 O3 S |
| Smiles: | Cc1cccc(c1)C1c2c(C(C)(C)C)nn(c3ccc(cc3)F)c2N(CC(N2CCOCC2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8904 |
| logD: | 4.8904 |
| logSw: | -4.6692 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.597 |
| InChI Key: | QQSNPOHYNHBAHV-AREMUKBSSA-N |