2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | M060-0464 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 471.33 |
| Molecular Formula: | C20 H15 Br N4 O3 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0863 |
| logD: | 3.0853 |
| logSw: | -3.317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.472 |
| InChI Key: | FTHZNHUZKDLQKF-UHFFFAOYSA-N |