N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F036-0414 |
| Compound Name: | N-{N'-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C27 H26 N4 O5 |
| Smiles: | COc1ccc(cc1OC)/N=C(\NCCc1c[nH]c2ccccc12)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1887 |
| logD: | 3.8201 |
| logSw: | -4.3285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.94 |
| InChI Key: | NGYDDQAZQJASDQ-UHFFFAOYSA-N |