2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | G674-0746 |
| Compound Name: | 2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 439.9 |
| Molecular Formula: | C22 H22 Cl N5 O3 |
| Smiles: | CN1C(C(C(Nc2ccc(CN3CCCC3)cc2)=O)=NN(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1991 |
| logD: | 1.1875 |
| logSw: | -3.7055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.472 |
| InChI Key: | IZFDTOPXSZDZRQ-UHFFFAOYSA-N |