N-{N'-(3-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F036-0408 |
| Compound Name: | N-{N'-(3-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C27 H26 N4 O3 |
| Smiles: | CCc1cccc(c1)/N=C(\NCCc1c[nH]c2ccccc12)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4199 |
| logD: | 5.1746 |
| logSw: | -5.7511 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.679 |
| InChI Key: | JTOJSAKRHABQES-UHFFFAOYSA-N |