3-{[(3-bromophenyl)methyl]sulfanyl}-8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indole
3-{[(3-bromophenyl)methyl]sulfanyl}-8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | K781-5989 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 520.43 |
| Molecular Formula: | C20 H18 Br N5 O3 S2 |
| Smiles: | C1COCCN1S(c1ccc2c(c1)c1c(nc(nn1)SCc1cccc(c1)[Br])[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2416 |
| logD: | 3.2416 |
| logSw: | -3.4769 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.154 |
| InChI Key: | NCCMLWHLFVEAEA-UHFFFAOYSA-N |