N-{N'-(3-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F036-1456 |
| Compound Name: | N-{N'-(3-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 474.95 |
| Molecular Formula: | C26 H23 Cl N4 O3 |
| Smiles: | Cc1c(cccc1[Cl])/N=C(\NCCc1c[nH]c2ccccc12)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4635 |
| logD: | 5.4201 |
| logSw: | -5.9812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.981 |
| InChI Key: | NQVFVTKRDUVWKF-UHFFFAOYSA-N |