N-(3-chloro-4-methoxyphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(3-chloro-4-methoxyphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | L150-1200 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C19 H22 Cl N5 O4 S |
| Smiles: | CCn1c2c(C(N(C)C(N2C)=O)=O)nc1SCCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3073 |
| logD: | 3.3067 |
| logSw: | -3.667 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.734 |
| InChI Key: | HELBXSUWCHXGGF-UHFFFAOYSA-N |