N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-4037 |
| Compound Name: | N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C15 H16 N4 O3 S |
| Smiles: | C1CCC(C1)Cc1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8613 |
| logD: | 2.9772 |
| logSw: | -4.1784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.038 |
| InChI Key: | XYUJAAINLFSDPR-UHFFFAOYSA-N |