N-[2-(benzylsulfanyl)ethyl]-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C200-1191 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccc(cc2NC1=O)C(NCCSCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0765 |
| logD: | 3.0715 |
| logSw: | -3.5959 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.384 |
| InChI Key: | JQAFRRUJZYFGHK-UHFFFAOYSA-N |