2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
					Chemical Structure Depiction of
2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
			2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V020-3114 | 
| Compound Name: | 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide | 
| Molecular Weight: | 574.14 | 
| Molecular Formula: | C31 H32 Cl N5 O2 S | 
| Salt: | not_available | 
| Smiles: | Cc1ccccc1n1c2c(C(c3cccc(c3)[Cl])SCC(N2CC(NCc2ccncc2)=O)=O)c(C(C)(C)C)n1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.7624 | 
| logD: | 5.759 | 
| logSw: | -5.8672 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 63.895 | 
| InChI Key: | YDRWWWNEVWUPPI-MUUNZHRXSA-N | 
 
				 
				