methyl 4-({N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L088-1375 |
| Compound Name: | methyl 4-({N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C23 H25 N3 O6 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCC1CCCO1)=N/c1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0782 |
| logD: | 1.9585 |
| logSw: | -2.8656 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.503 |
| InChI Key: | JBMVBJLDMMLTQP-GOSISDBHSA-N |