N-{amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-4-nitrobenzene-1-sulfonamide
N-{amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3389-2045 |
| Compound Name: | N-{amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C17 H16 N6 O4 S |
| Smiles: | Cc1ccc2c(c1)c(C)nc(NC(/N)=N/S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.9526 |
| logD: | 2.9512 |
| logSw: | -3.4417 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.048 |
| InChI Key: | UJYCWQCCAMAXKR-UHFFFAOYSA-N |