2-[1-(2-chlorophenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-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)-7-oxo-3-phenyl-4-(thiophen-2-yl)-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)-7-oxo-3-phenyl-4-(thiophen-2-yl)-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: | V019-6633 |
| Compound Name: | 2-[1-(2-chlorophenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 586.13 |
| Molecular Formula: | C30 H24 Cl N5 O2 S2 |
| Salt: | not_available |
| Smiles: | C(c1ccccn1)NC(CN1C(CSC(c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.227 |
| logD: | 5.2261 |
| logSw: | -5.6692 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.757 |
| InChI Key: | PPPBMMWOOOWUNE-LJAQVGFWSA-N |