2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl 3,5-dinitrobenzoate
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8008-5617 |
| Compound Name: | 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl 3,5-dinitrobenzoate |
| Molecular Weight: | 367.29 |
| Molecular Formula: | C12 H9 N5 O7 S |
| Smiles: | Cc1nnc(NC(COC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.7583 |
| logD: | 1.7249 |
| logSw: | -2.6366 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 134.36 |
| InChI Key: | WNMYGMGGRALMEJ-UHFFFAOYSA-N |