N-[2-(4-chlorophenyl)ethyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-[2-(4-chlorophenyl)ethyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | M916-0012 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C19 H22 Cl N5 O5 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)S(CCC(NCCc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9304 |
| logD: | 0.9304 |
| logSw: | -2.7285 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.76 |
| InChI Key: | ZOZSYPPBISBQSA-UHFFFAOYSA-N |