2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0525 |
| Compound Name: | 2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1c2c(c3cc(ccc3[nH]2)OC)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7781 |
| logD: | 3.7769 |
| logSw: | -4.0615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.193 |
| InChI Key: | KITQPUUJVFJIQK-UHFFFAOYSA-N |