1,3-dimethyl-5-({3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1,3-dimethyl-5-({3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
1,3-dimethyl-5-({3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8007-0369 |
| Compound Name: | 1,3-dimethyl-5-({3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 499.48 |
| Molecular Formula: | C20 H13 N5 O7 S2 |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)[N+]([O-])=O)Sc2nc3ccc(cc3s2)[N+]([O-])=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6479 |
| logD: | 4.6479 |
| logSw: | -4.6106 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 120.398 |
| InChI Key: | PAJMEQSDMBGLRI-UHFFFAOYSA-N |