ethyl 4-{2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M060-0013 |
| Compound Name: | ethyl 4-{2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9804 |
| logD: | 3.9794 |
| logSw: | -4.1182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.403 |
| InChI Key: | BZXSBFQIFDQTRN-UHFFFAOYSA-N |