2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 3706-0521 |
| Compound Name: | 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 478.62 |
| Molecular Formula: | C22 H18 N6 O S3 |
| Smiles: | Cn1c(nnn1)SCC(Nc1ccc2c(c1)sc(n2)SCc1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1049 |
| logD: | 5.1049 |
| logSw: | -5.7683 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.998 |
| InChI Key: | KQUIAMCUKCBDFS-UHFFFAOYSA-N |