N-[5-(4-nitrophenyl)-1,3,5-triazinan-2-ylidene]butane-1-sulfonamide
Chemical Structure Depiction of
N-[5-(4-nitrophenyl)-1,3,5-triazinan-2-ylidene]butane-1-sulfonamide
N-[5-(4-nitrophenyl)-1,3,5-triazinan-2-ylidene]butane-1-sulfonamide
Compound characteristics
| Compound ID: | 4877-0008 |
| Compound Name: | N-[5-(4-nitrophenyl)-1,3,5-triazinan-2-ylidene]butane-1-sulfonamide |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C13 H19 N5 O4 S |
| Smiles: | CCCCS(N=C1NCN(CN1)c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9162 |
| logD: | 1.9161 |
| logSw: | -2.6419 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.727 |
| InChI Key: | VQTVUHHACUXEFI-UHFFFAOYSA-N |