3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}benzamide
3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | L089-1415 |
| Compound Name: | 3-acetamido-N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}benzamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C23 H27 N5 O5 |
| Smiles: | CC(Nc1cccc(c1)C(NC(/NCCN1CCOCC1)=N/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.854 |
| logD: | 0.7094 |
| logSw: | -2.3986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.961 |
| InChI Key: | GELPVNGHSLBHCI-UHFFFAOYSA-N |