N,N-dimethyl-1-{2-[(2-phenylethyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N,N-dimethyl-1-{2-[(2-phenylethyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
N,N-dimethyl-1-{2-[(2-phenylethyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0207 |
| Compound Name: | N,N-dimethyl-1-{2-[(2-phenylethyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C19 H24 N6 O3 S |
| Smiles: | CN(C)S(c1ccc2c(c1)nnn2CCNC(NCCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1242 |
| logD: | 1.1242 |
| logSw: | -2.4169 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.208 |
| InChI Key: | QXSHAAYRCIJCNW-UHFFFAOYSA-N |