N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide
Chemical Structure Depiction of
N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide
N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | D336-1199 |
| Compound Name: | N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C25 H23 N3 O2 S2 |
| Smiles: | CN(C(CSc1nc2ccc(cc2s1)NC(CCc1ccccc1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9573 |
| logD: | 4.9572 |
| logSw: | -4.6553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.039 |
| InChI Key: | IHJYHQPRQHRJIJ-UHFFFAOYSA-N |