methyl 3-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3770 |
| Compound Name: | methyl 3-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 364.38 |
| Molecular Formula: | C15 H16 N4 O5 S |
| Smiles: | CCCCc1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8075 |
| logD: | 1.5984 |
| logSw: | -3.9275 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.925 |
| InChI Key: | PPDGBFXPYPAQNK-UHFFFAOYSA-N |