diethyl {[5-amino-3,3,4-tricyano-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-2-yl]methyl}phosphonate
Chemical Structure Depiction of
diethyl {[5-amino-3,3,4-tricyano-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-2-yl]methyl}phosphonate
diethyl {[5-amino-3,3,4-tricyano-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-2-yl]methyl}phosphonate
Compound characteristics
| Compound ID: | 8019-6249 |
| Compound Name: | diethyl {[5-amino-3,3,4-tricyano-1-(4-methylphenyl)-2,3-dihydro-1H-pyrrol-2-yl]methyl}phosphonate |
| Molecular Weight: | 399.39 |
| Molecular Formula: | C19 H22 N5 O3 P |
| Smiles: | CCOP(CC1C(C#N)(C#N)C(C#N)=C(N)N1c1ccc(C)cc1)(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2813 |
| logD: | 1.2813 |
| logSw: | -1.853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.978 |
| InChI Key: | HZNKURLHQAVWIT-KRWDZBQOSA-N |