N-(1,3-benzothiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
N-(1,3-benzothiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
Compound characteristics
| Compound ID: | Y031-7049 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C17 H16 N6 O3 S |
| Smiles: | CN1C(c2c(ncn2CCC(Nc2nc3ccccc3s2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7849 |
| logD: | 1.7848 |
| logSw: | -2.3733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.85 |
| InChI Key: | NWELMVCCYVGIIS-UHFFFAOYSA-N |