N-cyclopropyl-2-[4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-cyclopropyl-2-[4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-cyclopropyl-2-[4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
Compound ID: | V008-5215 |
Compound Name: | N-cyclopropyl-2-[4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
Molecular Weight: | 522.67 |
Molecular Formula: | C31 H30 N4 O2 S |
Smiles: | Cc1ccc(cc1)n1c2c(C(c3ccccc3C)SCC(N2CC(NC2CC2)=O)=O)c(c2ccccc2)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8431 |
logD: | 5.8431 |
logSw: | -5.5103 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.553 |
InChI Key: | LTBNTXNOSWUMNW-SSEXGKCCSA-N |