1-{2-[(4-bromo-2-fluorophenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(4-bromo-2-fluorophenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(4-bromo-2-fluorophenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0444 |
| Compound Name: | 1-{2-[(4-bromo-2-fluorophenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 463.31 |
| Molecular Formula: | C19 H20 Br F N6 O2 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6637 |
| logD: | 2.6625 |
| logSw: | -3.2279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.342 |
| InChI Key: | FYJGLDFRDMACFI-UHFFFAOYSA-N |