N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y032-4203 |
| Compound Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C15 H18 N4 O3 S2 |
| Smiles: | CC(C)(C)c1nnc(NC(CSCc2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0365 |
| logD: | 3.7377 |
| logSw: | -4.0729 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.043 |
| InChI Key: | MYZGDTDTVZYXBC-UHFFFAOYSA-N |