benzyl {3-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl}carbamate
Chemical Structure Depiction of
benzyl {3-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl}carbamate
benzyl {3-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl}carbamate
Compound characteristics
| Compound ID: | 8007-1871 |
| Compound Name: | benzyl {3-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl}carbamate |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C20 H20 N4 O5 S |
| Smiles: | CC(C)C(C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)NC(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8621 |
| logD: | 4.8619 |
| logSw: | -4.7621 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.966 |
| InChI Key: | GTAWFJXAPVFRQO-KRWDZBQOSA-N |