8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-0112 |
| Compound Name: | 8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 457.37 |
| Molecular Formula: | C19 H13 Br N4 O S2 |
| Smiles: | Cc1c(CSc2c3cc4c(ccs4)n3cnn2)nc(c2cccc(c2)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9657 |
| logD: | 4.9651 |
| logSw: | -4.8127 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.065 |
| InChI Key: | RSSLBTNGOQJONX-UHFFFAOYSA-N |