methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L089-1413 |
| Compound Name: | methyl 4-({N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C23 H26 N4 O6 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCCN1CCOCC1)=N/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4427 |
| logD: | 1.2981 |
| logSw: | -2.9968 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.873 |
| InChI Key: | OJWZOGZBPYGLAR-UHFFFAOYSA-N |