4-tert-butyl-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}benzamide
4-tert-butyl-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | L086-1375 |
| Compound Name: | 4-tert-butyl-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(/NCc1ccccn1)=N/c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0019 |
| logD: | 2.9582 |
| logSw: | -4.1111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.218 |
| InChI Key: | JWFYRMYVCNFKOB-UHFFFAOYSA-N |