[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl][4-(morpholine-4-sulfonyl)phenyl]methanone
Chemical Structure Depiction of
[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl][4-(morpholine-4-sulfonyl)phenyl]methanone
[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl][4-(morpholine-4-sulfonyl)phenyl]methanone
Compound characteristics
| Compound ID: | 2332-0413 |
| Compound Name: | [3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl][4-(morpholine-4-sulfonyl)phenyl]methanone |
| Molecular Weight: | 602.5 |
| Molecular Formula: | C27 H25 Cl2 N5 O5 S |
| Smiles: | Cc1c(C2=NON3N2c2ccccc2N3C(c2ccc(cc2)S(N2CCOCC2)(=O)=O)=O)c(C)c(c(C)c1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9918 |
| logD: | 4.9918 |
| logSw: | -5.2796 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.695 |
| InChI Key: | RNTCNWQQHACSRJ-UHFFFAOYSA-N |