4-methyl-3-[4-(2-methylbutanoyl)-1,4-diazepan-1-yl]-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
					Chemical Structure Depiction of
4-methyl-3-[4-(2-methylbutanoyl)-1,4-diazepan-1-yl]-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
			4-methyl-3-[4-(2-methylbutanoyl)-1,4-diazepan-1-yl]-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0123 | 
| Compound Name: | 4-methyl-3-[4-(2-methylbutanoyl)-1,4-diazepan-1-yl]-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione | 
| Molecular Weight: | 389.52 | 
| Molecular Formula: | C20 H27 N3 O3 S | 
| Smiles: | CCC(C)C(N1CCCN(CC1)C1C(C)=C(c2ccccc2)S(N=1)(=O)=O)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 2.9516 | 
| logD: | 2.9516 | 
| logSw: | -3.1653 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 60.189 | 
| InChI Key: | FHGMAQKCWVHVSL-HNNXBMFYSA-N | 
 
				 
				