N-[(3-chlorophenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[(3-chlorophenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0378 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C18 H20 Cl N5 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5798 |
| logD: | 2.5798 |
| logSw: | -3.5177 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.511 |
| InChI Key: | XRCSOUDANLDAGY-UHFFFAOYSA-N |