methyl 4,5-dimethoxy-2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
methyl 4,5-dimethoxy-2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8016-2415 |
| Compound Name: | methyl 4,5-dimethoxy-2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 557.63 |
| Molecular Formula: | C29 H27 N5 O5 S |
| Smiles: | COC(c1cc(c(cc1NC(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4255 |
| logD: | 4.2085 |
| logSw: | -4.2821 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.571 |
| InChI Key: | DVMGPQJEVUHVKJ-UHFFFAOYSA-N |