5-methyl-8-{[(4-nitrophenyl)methyl]sulfanyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
5-methyl-8-{[(4-nitrophenyl)methyl]sulfanyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
5-methyl-8-{[(4-nitrophenyl)methyl]sulfanyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | C794-0434 |
| Compound Name: | 5-methyl-8-{[(4-nitrophenyl)methyl]sulfanyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C16 H12 N4 O3 S |
| Smiles: | Cc1nnc(c2cc3c(cco3)n12)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7367 |
| logD: | 2.7361 |
| logSw: | -2.9815 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.95 |
| InChI Key: | HPYATBXMJUUPBQ-UHFFFAOYSA-N |