3-tert-butyl-7-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-tert-butyl-7-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G786-1984 |
| Compound Name: | 3-tert-butyl-7-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C16 H15 N5 O4 S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2271 |
| logD: | 4.2113 |
| logSw: | -4.4394 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.145 |
| InChI Key: | CGOKCUNQXVSNRF-UHFFFAOYSA-N |