2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(3-phenoxypropyl)-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-phenoxypropyl)-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-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | Y031-7029 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C20 H21 N7 O4 S |
| Smiles: | CN1C(c2c(ncn2CC(Nc2nnc(CCCOc3ccccc3)s2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1313 |
| logD: | 2.053 |
| logSw: | -2.7575 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.296 |
| InChI Key: | BRTRGMVSQPIQJL-UHFFFAOYSA-N |