N,N-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N,N-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
N,N-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8002-0728 |
| Compound Name: | N,N-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C13 H15 N3 O3 S2 |
| Smiles: | CCN(CC)C(CSc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2355 |
| logD: | 3.2355 |
| logSw: | -3.5223 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.106 |
| InChI Key: | YJHJZDJQUNRGDJ-UHFFFAOYSA-N |