N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | 8008-3044 |
| Compound Name: | N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C19 H16 N4 O4 S2 |
| Smiles: | C1CC1NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3956 |
| logD: | 3.2525 |
| logSw: | -4.07 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.748 |
| InChI Key: | LMFBGKCCLKVACC-UHFFFAOYSA-N |