N-[4-(methanesulfonyl)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[4-(methanesulfonyl)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[4-(methanesulfonyl)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0349 |
| Compound Name: | N-[4-(methanesulfonyl)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C18 H21 N5 O5 S2 |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(Nc1ccc(cc1)S(C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9991 |
| logD: | 0.9987 |
| logSw: | -2.3899 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.938 |
| InChI Key: | ORTVHBGQIDKSFP-UHFFFAOYSA-N |