methyl 4-({N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl}carbamoyl)benzoate
methyl 4-({N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L088-0021 |
| Compound Name: | methyl 4-({N-[(oxolan-2-yl)methyl]-N'-phenylcarbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCC1CCCO1)=N/c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6815 |
| logD: | 2.6533 |
| logSw: | -3.1065 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.679 |
| InChI Key: | DUXXVLHRQLYQAY-GOSISDBHSA-N |