dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate
Chemical Structure Depiction of
dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate
dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate
Compound characteristics
| Compound ID: | 8019-0811 |
| Compound Name: | dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate |
| Molecular Weight: | 414.24 |
| Molecular Formula: | C11 H17 F6 N4 O4 P |
| Smiles: | CCC(C)(NC1NC(NC(C(F)(F)F)(C(F)(F)F)N=1)=O)P(=O)(OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8026 |
| logD: | -3.0983 |
| logSw: | -1.9888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.581 |
| InChI Key: | VFDIIVCPKAHAKQ-QMMMGPOBSA-N |