1-(2-chlorophenyl)-4-(2,4-difluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-4-(2,4-difluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-4-(2,4-difluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V027-4634 |
| Compound Name: | 1-(2-chlorophenyl)-4-(2,4-difluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 595.07 |
| Molecular Formula: | C30 H25 Cl F2 N4 O3 S |
| Salt: | not_available |
| Smiles: | C1COCCN1C(CN1C(CSC(c2ccc(cc2F)F)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.988 |
| logD: | 4.988 |
| logSw: | -5.1503 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.025 |
| InChI Key: | LDODTRPCLPHLEC-GDLZYMKVSA-N |