6-amino-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-amino-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
6-amino-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8011-6440 |
| Compound Name: | 6-amino-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 321.35 |
| Molecular Formula: | C14 H15 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C(CSC1NC(C=C(N)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4691 |
| logD: | 0.4679 |
| logSw: | -2.2954 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.189 |
| InChI Key: | XXFNENAQAUAOFQ-UHFFFAOYSA-N |