1-[1,5-bis(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,4,5-tetrahydro-3H-1,3,5-benzotriazepin-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[1,5-bis(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,4,5-tetrahydro-3H-1,3,5-benzotriazepin-3-yl]ethan-1-one
1-[1,5-bis(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,4,5-tetrahydro-3H-1,3,5-benzotriazepin-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 1955-0013 |
| Compound Name: | 1-[1,5-bis(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,4,5-tetrahydro-3H-1,3,5-benzotriazepin-3-yl]ethan-1-one |
| Molecular Weight: | 589.6 |
| Molecular Formula: | C24 H23 N5 O9 S2 |
| Smiles: | CC(N1CN(c2ccccc2N(C1)S(c1ccc(C)c(c1)[N+]([O-])=O)(=O)=O)S(c1ccc(C)c(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5633 |
| logD: | 4.5633 |
| logSw: | -4.5021 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 147.79 |
| InChI Key: | XCEZWPDPPHHBMS-UHFFFAOYSA-N |