N-(2,4-dimethylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2,4-dimethylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0084 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8616 |
| logD: | 3.8607 |
| logSw: | -3.9934 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.951 |
| InChI Key: | RLEGUHZIDCHRCO-UHFFFAOYSA-N |