N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
					Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
			N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | J039-0237 | 
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | 
| Molecular Weight: | 481.53 | 
| Molecular Formula: | C23 H23 N5 O5 S | 
| Smiles: | CC(c1nnc(n1C)SCC(Nc1ccc2c(c1)OCCO2)=O)N1C(COc2ccccc12)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 1.005 | 
| logD: | 1.0049 | 
| logSw: | -2.3817 | 
| Hydrogen bond acceptors count: | 10 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 87.465 | 
| InChI Key: | GPAJWMBQVUSYFQ-AWEZNQCLSA-N | 
 
				 
				