methyl 4-({N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L087-0244 |
| Compound Name: | methyl 4-({N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 467.32 |
| Molecular Formula: | C22 H19 Br N4 O3 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCc1cccnc1)=N/c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.539 |
| logD: | 3.5019 |
| logSw: | -3.3172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.543 |
| InChI Key: | VVZFZZQXFSTKIB-UHFFFAOYSA-N |