N-[3-(propan-2-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-[3-(propan-2-yl)phenyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-[3-(propan-2-yl)phenyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L150-1158 |
| Compound Name: | N-[3-(propan-2-yl)phenyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C20 H25 N5 O5 S |
| Smiles: | CC(C)c1cccc(c1)NC(CCS(c1nc2C(N(C)C(N(C)c2n1C)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2105 |
| logD: | 2.2105 |
| logSw: | -3.0941 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.597 |
| InChI Key: | IOXCKUPVVCWVRS-UHFFFAOYSA-N |