N-tert-butyl-3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(4-nitrophenyl)methylidene]hydrazinyl}propanamide
Chemical Structure Depiction of
N-tert-butyl-3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(4-nitrophenyl)methylidene]hydrazinyl}propanamide
N-tert-butyl-3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(4-nitrophenyl)methylidene]hydrazinyl}propanamide
Compound characteristics
| Compound ID: | 4994-0644 |
| Compound Name: | N-tert-butyl-3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(4-nitrophenyl)methylidene]hydrazinyl}propanamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | CC(C)(C)NC(CCN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3673 |
| logD: | 2.3673 |
| logSw: | -3.0461 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.85 |
| InChI Key: | KTUQSTDNVVUOMY-UHFFFAOYSA-N |