4-amino-N-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,5-oxadiazole-3-carboxamide
Chemical Structure Depiction of
4-amino-N-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,5-oxadiazole-3-carboxamide
4-amino-N-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,5-oxadiazole-3-carboxamide
Compound characteristics
| Compound ID: | D440-0196 |
| Compound Name: | 4-amino-N-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,5-oxadiazole-3-carboxamide |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C13 H16 N6 O3 S |
| Smiles: | CSc1cccc(c1)NC(NCCNC(c1c(N)non1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9799 |
| logD: | 0.9799 |
| logSw: | -2.3291 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 115.316 |
| InChI Key: | VUNJSEOUHIGGMO-UHFFFAOYSA-N |