N,N-diethyl-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-amine
Chemical Structure Depiction of
N,N-diethyl-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-amine
N,N-diethyl-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-amine
Compound characteristics
| Compound ID: | IB08-9078 |
| Compound Name: | N,N-diethyl-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-amine |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C23 H27 N5 S |
| Smiles: | CCN(CC)CCSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.65 |
| logD: | 3.48 |
| logSw: | -4.66 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 87.29 |
| InChI Key: | DTNJKCOOYBPVST-UHFFFAOYSA-N |