methyl 3-nitro-5-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
methyl 3-nitro-5-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-3385 |
| Compound Name: | methyl 3-nitro-5-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C16 H18 N4 O5 S |
| Smiles: | CCC(CC)c1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1351 |
| logD: | 1.9465 |
| logSw: | -4.2487 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.43 |
| InChI Key: | VBGVKRUKRLRNQA-UHFFFAOYSA-N |