1-{2-[(4-bromo-3-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(4-bromo-3-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(4-bromo-3-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0463 |
| Compound Name: | 1-{2-[(4-bromo-3-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 459.34 |
| Molecular Formula: | C20 H23 Br N6 O2 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccc(c(C)c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1568 |
| logD: | 3.1568 |
| logSw: | -3.2043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.04 |
| InChI Key: | DKUZDQFZTXYSME-UHFFFAOYSA-N |