methyl 4-({N'-(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L088-0776 |
| Compound Name: | methyl 4-({N'-(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C22 H25 N3 O5 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCC1CCCO1)=N/c1ccccc1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.707 |
| logD: | 2.6914 |
| logSw: | -3.2524 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.612 |
| InChI Key: | IXJTYAOOQZQLPV-QGZVFWFLSA-N |