N-(4-chloro-2-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-(4-chloro-2-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-(4-chloro-2-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0365 |
| Compound Name: | N-(4-chloro-2-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 377.8 |
| Molecular Formula: | C16 H12 Cl N3 O4 S |
| Smiles: | C(CN1C(Oc2ccccc12)=S)C(Nc1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7148 |
| logD: | 2.5483 |
| logSw: | -4.4736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.385 |
| InChI Key: | YZBMFDQYRGGJIL-UHFFFAOYSA-N |