N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-tert-butylbenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-tert-butylbenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | L087-1485 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-4-tert-butylbenzamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(/NCc1cccnc1)=N/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5446 |
| logD: | 4.3085 |
| logSw: | -4.0864 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.485 |
| InChI Key: | FHEYQWXZUGFQPO-UHFFFAOYSA-N |