8-{[(3-chlorophenyl)methyl]sulfanyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-{[(3-chlorophenyl)methyl]sulfanyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-{[(3-chlorophenyl)methyl]sulfanyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E514-0575 |
| Compound Name: | 8-{[(3-chlorophenyl)methyl]sulfanyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 343.83 |
| Molecular Formula: | C17 H14 Cl N3 O S |
| Smiles: | Cc1nnc(c2cc3c(cc(C)o3)n12)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2892 |
| logD: | 4.2887 |
| logSw: | -4.4764 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.082 |
| InChI Key: | YBFDSFVFLYRZQC-UHFFFAOYSA-N |