N-{N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F036-1578 |
| Compound Name: | N-{N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(propan-2-yl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 468.56 |
| Molecular Formula: | C28 H28 N4 O3 |
| Smiles: | CC(C)c1ccc(cc1)/N=C(\NCCc1c[nH]c2ccccc12)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6893 |
| logD: | 5.3358 |
| logSw: | -5.8313 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.679 |
| InChI Key: | OONXHYXAIPPYDE-UHFFFAOYSA-N |