N,N-dimethyl-1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N,N-dimethyl-1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
N,N-dimethyl-1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0310 |
| Compound Name: | N,N-dimethyl-1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | CN(C)C(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3048 |
| logD: | 1.3048 |
| logSw: | -2.3736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.382 |
| InChI Key: | RHQIOUXGGNDVMB-UHFFFAOYSA-N |