2-(2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-diethylethan-1-amine
Chemical Structure Depiction of
2-(2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-diethylethan-1-amine
2-(2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-diethylethan-1-amine
Compound characteristics
| Compound ID: | D472-1048 |
| Compound Name: | 2-(2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-diethylethan-1-amine |
| Molecular Weight: | 449.58 |
| Molecular Formula: | C23 H27 N7 O S |
| Smiles: | CCN(CC)CCn1c(C)c(C)c2c1ncn1c2nc(CSc2nc3ccccc3o2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1919 |
| logD: | 2.846 |
| logSw: | -4.3479 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.389 |
| InChI Key: | GKJVOBAYTJPBOR-UHFFFAOYSA-N |