3-methyl-6-[(4-nitrobenzene-1-sulfonyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-6-[(4-nitrobenzene-1-sulfonyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-6-[(4-nitrobenzene-1-sulfonyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
Compound ID: | 7653-0022 |
Compound Name: | 3-methyl-6-[(4-nitrobenzene-1-sulfonyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one |
Molecular Weight: | 368.39 |
Molecular Formula: | C13 H12 N4 O5 S2 |
Smiles: | CC1C(N2C(CSC2=NN=1)CS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.0823 |
logD: | 1.0823 |
logSw: | -2.3766 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 97.899 |
InChI Key: | KGWMJPSAUOEZSB-SNVBAGLBSA-N |