N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | G674-1771 |
| Compound Name: | N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C23 H26 F N5 O4 |
| Smiles: | CN1C(C(C(NCCN(Cc2ccco2)C2CCCC2)=O)=NN(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4809 |
| logD: | 2.1991 |
| logSw: | -2.9362 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.478 |
| InChI Key: | LYOMMKMIGVMKCY-UHFFFAOYSA-N |