N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-(dimethylamino)benzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-(dimethylamino)benzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-(dimethylamino)benzamide
Compound characteristics
| Compound ID: | F036-2084 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-(dimethylamino)benzamide |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C28 H29 N5 O3 |
| Smiles: | CN(C)c1cccc(c1)C(NC(/NCCc1c[nH]c2ccccc12)=N/c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0215 |
| logD: | 3.4565 |
| logSw: | -4.1778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.191 |
| InChI Key: | HULYLOVBTGEUSW-UHFFFAOYSA-N |