3-cyclopentyl-N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Chemical Structure Depiction of
3-cyclopentyl-N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
3-cyclopentyl-N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | V005-6892 |
| Compound Name: | 3-cyclopentyl-N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C18 H20 N4 O4 S2 |
| Smiles: | C1CCC(C1)CCC(Nc1nnc(SCC(c2cccc(c2)[N+]([O-])=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5713 |
| logD: | 4.569 |
| logSw: | -4.5643 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.937 |
| InChI Key: | XBRONQKVXDPIIF-UHFFFAOYSA-N |