2-(2-carbamimidamido-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-(2-carbamimidamido-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-nitrophenyl)acetamide
2-(2-carbamimidamido-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-nitrophenyl)acetamide
Compound characteristics
Compound ID: | Y021-2088 |
Compound Name: | 2-(2-carbamimidamido-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-nitrophenyl)acetamide |
Molecular Weight: | 336.33 |
Molecular Formula: | C12 H12 N6 O4 S |
Smiles: | C(C1C(N=C(NC(N)=N)S1)=O)C(Nc1ccccc1[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | -0.2287 |
logD: | -3.4614 |
logSw: | -2.1387 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 5 |
Polar surface area: | 127.081 |
InChI Key: | PBTXZDRRPVVBLZ-QMMMGPOBSA-N |