methyl 4-({N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L088-0548 |
| Compound Name: | methyl 4-({N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C22 H25 N3 O4 |
| Smiles: | Cc1ccc(cc1)/N=C(\NCC1CCCO1)NC(c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2264 |
| logD: | 3.1417 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.679 |
| InChI Key: | RVMVWIHRFGDAOB-LJQANCHMSA-N |