methyl 4-({N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L088-1001 |
| Compound Name: | methyl 4-({N'-(2,3-dimethylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C23 H27 N3 O4 |
| Smiles: | Cc1cccc(c1C)/N=C(\NCC1CCCO1)NC(c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7779 |
| logD: | 3.7018 |
| logSw: | -4.0321 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.982 |
| InChI Key: | SVKRCJJRBNCFMD-LJQANCHMSA-N |