N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-fluorobenzamide
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | D336-6038 |
| Compound Name: | N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-fluorobenzamide |
| Molecular Weight: | 361.41 |
| Molecular Formula: | C16 H12 F N3 O2 S2 |
| Smiles: | C(C(N)=O)Sc1nc2ccc(cc2s1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0076 |
| logD: | 3.0024 |
| logSw: | -3.4646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.799 |
| InChI Key: | QYTLQKFVHHGJFN-UHFFFAOYSA-N |