2-methyl-3-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
2-methyl-3-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
2-methyl-3-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-3668 |
| Compound Name: | 2-methyl-3-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Smiles: | CCCC(C)c1nnc(NC(c2cccc(c2C)[N+]([O-])=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1943 |
| logD: | 1.8845 |
| logSw: | -4.3718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.955 |
| InChI Key: | AJQHBEINXCOAQM-VIFPVBQESA-N |