1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0474 |
| Compound Name: | 1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H23 F N6 O2 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2599 |
| logD: | 1.2599 |
| logSw: | -2.1721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.362 |
| InChI Key: | UPOGOUZRNUPESD-UHFFFAOYSA-N |