(3-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
Chemical Structure Depiction of
(3-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
(3-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
Compound characteristics
| Compound ID: | 8012-9110 |
| Compound Name: | (3-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSc1nc2c(c3ccccc3n2CC(O)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2805 |
| logD: | -1.8527 |
| logSw: | -2.6595 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.116 |
| InChI Key: | WALRYUOHQYMQNZ-UHFFFAOYSA-N |