2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E737-0624 |
| Compound Name: | 2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C(N1CC(Nc1cccc(c1)SC)=O)=O)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 5.3808 |
| logD: | 5.3808 |
| logSw: | -5.3652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.496 |
| InChI Key: | STLAWIPWSMMGBV-UHFFFAOYSA-N |