1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0347 |
| Compound Name: | 1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CCN(CC)C(c1ccc2c(c1)nnn2CCNC(Nc1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8521 |
| logD: | 1.8521 |
| logSw: | -2.4031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.615 |
| InChI Key: | PFDHPEIWEAMVMZ-UHFFFAOYSA-N |