N-[3-(methylsulfanyl)phenyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0039 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C19 H16 N4 O S2 |
| Smiles: | CSc1cccc(c1)NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8399 |
| logD: | 3.839 |
| logSw: | -4.1286 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.649 |
| InChI Key: | PRJQBVOBRGQKNJ-UHFFFAOYSA-N |