N~2~-(4-nitrophenyl)-N~4~-(prop-2-en-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~-(4-nitrophenyl)-N~4~-(prop-2-en-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
N~2~-(4-nitrophenyl)-N~4~-(prop-2-en-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | K890-0073 |
| Compound Name: | N~2~-(4-nitrophenyl)-N~4~-(prop-2-en-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 341.37 |
| Molecular Formula: | C16 H19 N7 O2 |
| Smiles: | C=CCNc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5233 |
| logD: | 4.5231 |
| logSw: | -4.3724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.76 |
| InChI Key: | QCPMVRNXRQDMHD-UHFFFAOYSA-N |