methyl 4-({N'-(2-methoxy-5-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(2-methoxy-5-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(2-methoxy-5-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L088-1265 |
| Compound Name: | methyl 4-({N'-(2-methoxy-5-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C23 H27 N3 O5 |
| Smiles: | Cc1ccc(c(c1)/N=C(\NCC1CCCO1)NC(c1ccc(cc1)C(=O)OC)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.15 |
| logD: | 3.1118 |
| logSw: | -3.2976 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.612 |
| InChI Key: | ZEWMMYYTCIKCKZ-GOSISDBHSA-N |