N,N-diethyl-1-{2-[(4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-1-{2-[(4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
N,N-diethyl-1-{2-[(4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0242 |
| Compound Name: | N,N-diethyl-1-{2-[(4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C20 H26 N6 O3 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCNC(Nc1ccc(C)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.71 |
| logD: | 2.71 |
| logSw: | -3.2351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.478 |
| InChI Key: | BLCVEPMIDMZYRE-UHFFFAOYSA-N |