2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | Y032-4178 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C20 H21 N7 O3 S2 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2nnc(SCCCc3ccccc3)s2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4057 |
| logD: | 3.4019 |
| logSw: | -3.7983 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.744 |
| InChI Key: | RCAJAZJTCJIETQ-UHFFFAOYSA-N |