4-amino-2-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-amino-2-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carbonitrile
4-amino-2-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | IB03-9663 |
| Compound Name: | 4-amino-2-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carbonitrile |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C16 H13 N5 O S |
| Smiles: | Cn1cc(C(CSc2ncc(C#N)c(N)n2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.97 |
| logD: | 1.97 |
| logSw: | -2.57 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 196.76 |
| InChI Key: | YITREYLFCVABFA-UHFFFAOYSA-N |