3-{[(3-bromophenyl)methyl]sulfanyl}-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide
3-{[(3-bromophenyl)methyl]sulfanyl}-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide
Compound characteristics
| Compound ID: | K781-5979 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide |
| Molecular Weight: | 506.44 |
| Molecular Formula: | C20 H20 Br N5 O2 S2 |
| Smiles: | CCN(CC)S(c1ccc2c(c1)c1c(nc(nn1)SCc1cccc(c1)[Br])[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0581 |
| logD: | 4.0581 |
| logSw: | -4.1 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.631 |
| InChI Key: | RRSQPQGCNRJIDF-UHFFFAOYSA-N |