N-([(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-([(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
N-([(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y021-1915 |
| Compound Name: | N-([(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 494.58 |
| Molecular Formula: | C22 H26 N10 O2 S |
| Smiles: | Cc1cc(C)nc(NC(/NCCc2c[nH]c3ccc(cc23)OC)=N/C(CSc2nnnn2C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6796 |
| logD: | 0.6679 |
| logSw: | -2.4555 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.556 |
| InChI Key: | KVWAKLCRTDSSFA-UHFFFAOYSA-N |