N-cyclopropyl-2-[1-(2-methylphenyl)-4-(3-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-[1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-cyclopropyl-2-[1-(2-methylphenyl)-4-(3-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: | V007-3784 |
| Compound Name: | N-cyclopropyl-2-[1-(2-methylphenyl)-4-(3-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: | Cc1cccc(c1)C1c2c(c3ccccc3)nn(c3ccccc3C)c2N(CC(NC2CC2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9544 |
| logD: | 5.9544 |
| logSw: | -5.52 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.252 |
| InChI Key: | ILBZZVNGKGQSJE-SSEXGKCCSA-N |