1-{2-[(3-bromophenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(3-bromophenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
1-{2-[(3-bromophenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0272 |
| Compound Name: | 1-{2-[(3-bromophenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 431.29 |
| Molecular Formula: | C18 H19 Br N6 O2 |
| Smiles: | CN(C)C(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6519 |
| logD: | 1.6519 |
| logSw: | -2.2982 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.382 |
| InChI Key: | KKRCKSASHZWKQN-UHFFFAOYSA-N |