N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
Chemical Structure Depiction of
N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
Compound characteristics
| Compound ID: | V014-2615 |
| Compound Name: | N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide |
| Molecular Weight: | 364.44 |
| Molecular Formula: | C15 H16 N4 O3 S2 |
| Smiles: | C1CCC(C1)C(Nc1nnc(SCc2cccc(c2)[N+]([O-])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1999 |
| logD: | 4.1934 |
| logSw: | -4.2689 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.904 |
| InChI Key: | NJWOSRYRBIJMGO-UHFFFAOYSA-N |