N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-tert-butylbenzamide
Chemical Structure Depiction of
N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-tert-butylbenzamide
N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | F340-1417 |
| Compound Name: | N-{N'-(4-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-tert-butylbenzamide |
| Molecular Weight: | 496.45 |
| Molecular Formula: | C25 H30 Br N5 O |
| Smiles: | Cc1c(CN\C(NC(c2ccc(cc2)C(C)(C)C)=O)=N/c2ccc(cc2)[Br])c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2171 |
| logD: | 4.9903 |
| logSw: | -5.1065 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.691 |
| InChI Key: | KNDIISICJCRKLU-UHFFFAOYSA-N |