N-(3-chloro-4-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-(3-chloro-4-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L150-1147 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C18 H20 Cl N5 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCS(c1nc2C(N(C)C(N(C)c2n1C)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2509 |
| logD: | 2.2507 |
| logSw: | -3.3443 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.597 |
| InChI Key: | NWMPKMRGBIBLRE-UHFFFAOYSA-N |