N-(2-{[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-(2-{[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
N-(2-{[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | 3706-0324 |
| Compound Name: | N-(2-{[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C19 H18 N4 O5 S2 |
| Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1[N+]([O-])=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1621 |
| logD: | 4.1382 |
| logSw: | -4.3453 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.274 |
| InChI Key: | IWBFSMFELABLPR-UHFFFAOYSA-N |