N-[4-(morpholin-4-yl)phenyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-[4-(morpholin-4-yl)phenyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-[4-(morpholin-4-yl)phenyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | M916-0164 |
| Compound Name: | N-[4-(morpholin-4-yl)phenyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C21 H26 N6 O6 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)S(CCC(Nc1ccc(cc1)N1CCOCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5797 |
| logD: | 0.5795 |
| logSw: | -2.2684 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.958 |
| InChI Key: | IFJZOERHMGEAOW-UHFFFAOYSA-N |