N-{N'-(4-chloro-2-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(4-chloro-2-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(4-chloro-2-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L089-1362 |
| Compound Name: | N-{N'-(4-chloro-2-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C22 H25 Cl N4 O4 |
| Smiles: | Cc1cc(ccc1/N=C(\NCCN1CCOCC1)NC(c1ccc2c(c1)OCO2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6725 |
| logD: | 2.5279 |
| logSw: | -4.0633 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.002 |
| InChI Key: | XFDQSPNRRWDQFG-UHFFFAOYSA-N |