N,N-diethyl-4-[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazole-9-carbonyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-4-[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazole-9-carbonyl]benzene-1-sulfonamide
N,N-diethyl-4-[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazole-9-carbonyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 2652-0652 |
| Compound Name: | N,N-diethyl-4-[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazole-9-carbonyl]benzene-1-sulfonamide |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C27 H29 N5 O4 S |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(N1c2ccccc2N2C(c3c(C)cc(C)cc3C)=NON12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7832 |
| logD: | 4.7832 |
| logSw: | -4.6458 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.171 |
| InChI Key: | BGMCKTLQYMPHJL-UHFFFAOYSA-N |