N-{N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methoxyphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methoxyphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methoxyphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F036-1400 |
| Compound Name: | N-{N-[2-(1H-indol-3-yl)ethyl]-N'-(3-methoxyphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C26 H24 N4 O4 |
| Smiles: | COc1cccc(c1)/N=C(\NCCc1c[nH]c2ccccc12)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6949 |
| logD: | 4.5568 |
| logSw: | -4.5584 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.223 |
| InChI Key: | KVODTRLEELJVCX-UHFFFAOYSA-N |