diethyl {[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate
Chemical Structure Depiction of
diethyl {[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate
diethyl {[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate
Compound characteristics
| Compound ID: | 5471-0129 |
| Compound Name: | diethyl {[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | CCOC(C(C(=O)OCC)Sc1nc2c(c3ccccc3n2C(C)C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4915 |
| logD: | 3.4623 |
| logSw: | -3.6355 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.833 |
| InChI Key: | KNFWYDPRHGVZDF-UHFFFAOYSA-N |