N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}propanamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}propanamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}propanamide
Compound characteristics
| Compound ID: | Y500-0022 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}propanamide |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C16 H13 N3 O3 S2 |
| Smiles: | CCC(Nc1cc(cc(c1)Sc1nc2ccccc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6997 |
| logD: | 4.6995 |
| logSw: | -4.4411 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.579 |
| InChI Key: | SOABPZUOLFOHRI-UHFFFAOYSA-N |