N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0400 |
| Compound Name: | N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 469.51 |
| Molecular Formula: | C22 H16 F N3 O4 S2 |
| Smiles: | C(CN1C(Oc2ccccc12)=S)C(Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5967 |
| logD: | 5.5959 |
| logSw: | -5.7423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.113 |
| InChI Key: | QVPMRBNWQZYVJC-UHFFFAOYSA-N |