N-cyclopropyl-2-[1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: | V004-6578 |
| Compound Name: | N-cyclopropyl-2-[1-(4-methoxyphenyl)-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: | 538.67 |
| Molecular Formula: | C31 H30 N4 O3 S |
| Smiles: | Cc1cccc(c1)C1c2c(c3ccccc3)nn(c3ccc(cc3)OC)c2N(CC(NC2CC2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.552 |
| logD: | 5.552 |
| logSw: | -5.4532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.096 |
| InChI Key: | MWATWXLKVAUPPC-SSEXGKCCSA-N |