4-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
					Chemical Structure Depiction of
4-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
			4-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | J039-0231 | 
| Compound Name: | 4-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one | 
| Molecular Weight: | 492.6 | 
| Molecular Formula: | C25 H28 N6 O3 S | 
| Smiles: | CC(c1nnc(n1C)SCC(N1CCN(CC1)c1ccccc1)=O)N1C(COc2ccccc12)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 1.9305 | 
| logD: | 1.9305 | 
| logSw: | -2.3144 | 
| Hydrogen bond acceptors count: | 8 | 
| Polar surface area: | 68.146 | 
| InChI Key: | HMHKFCXOVZGHLT-SFHVURJKSA-N | 
 
				 
				