3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | Y031-7107 |
| Compound Name: | 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 388.45 |
| Molecular Formula: | C17 H20 N6 O3 S |
| Smiles: | CN1C(c2c(ncn2CCC(Nc2nc3CCCCc3s2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.674 |
| logD: | 1.5067 |
| logSw: | -2.3894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.556 |
| InChI Key: | NMROYVMMNPWYIL-UHFFFAOYSA-N |