N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}-4-tert-butylbenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}-4-tert-butylbenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | L089-1421 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}-4-tert-butylbenzamide |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C25 H32 N4 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(/NCCN1CCOCC1)=N/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1465 |
| logD: | 3.0019 |
| logSw: | -4.1371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.699 |
| InChI Key: | NEAWWSHMSZKCCI-UHFFFAOYSA-N |