2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethyl propanoate
Chemical Structure Depiction of
2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethyl propanoate
2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethyl propanoate
Compound characteristics
| Compound ID: | Y600-2878 |
| Compound Name: | 2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethyl propanoate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C16 H24 N6 O4 |
| Smiles: | CCC(=O)OCCN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.7152 |
| logD: | 0.5008 |
| logSw: | -1.0222 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.698 |
| InChI Key: | CSCSQNKKANWKGX-UHFFFAOYSA-N |