2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | V014-4176 |
Compound Name: | 2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide |
Molecular Weight: | 598.1 |
Molecular Formula: | C32 H25 Cl F N5 O2 S |
Salt: | not_available |
Smiles: | C(c1ccccn1)NC(CN1C(CSC(c2ccc(cc2)F)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6867 |
logD: | 5.6858 |
logSw: | -5.9717 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.738 |
InChI Key: | SSJXZNUAXRVULW-WJOKGBTCSA-N |