N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | D336-0513 |
| Compound Name: | N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C22 H23 N3 O2 S2 |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)sc(n2)SCC(N1CCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0369 |
| logD: | 5.0368 |
| logSw: | -4.5444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.621 |
| InChI Key: | RVIHZKAWQTYHHH-UHFFFAOYSA-N |