4-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)-2-(3-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)-2-(3-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)-2-(3-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-4250 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)-2-(3-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 428.85 |
| Molecular Formula: | C21 H18 Cl F N4 O3 |
| Smiles: | C1CC1CNC(C1C(N(Cc2cccc(c2)[Cl])C(N(c2cccc(c2)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7167 |
| logD: | 3.7167 |
| logSw: | -4.2027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.181 |
| InChI Key: | HCEKIRFMPBSMKE-UHFFFAOYSA-N |