(3-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
Chemical Structure Depiction of
(3-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
(3-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
Compound characteristics
| Compound ID: | 8012-9095 |
| Compound Name: | (3-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid |
| Molecular Weight: | 472.32 |
| Molecular Formula: | C19 H14 Br N5 O3 S |
| Smiles: | C(C(O)=O)n1c2ccccc2c2c1nc(nn2)SCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5753 |
| logD: | -1.5579 |
| logSw: | -2.8687 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.511 |
| InChI Key: | GGBAKCJHDJDWFO-UHFFFAOYSA-N |