N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | 8008-3028 |
| Compound Name: | N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C20 H18 N4 O5 S2 |
| Smiles: | C1COCCN1C(CSc1nc2ccc(cc2s1)NC(c1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9325 |
| logD: | 2.7894 |
| logSw: | -3.7375 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.521 |
| InChI Key: | KNWACSMJIUEAOV-UHFFFAOYSA-N |