methyl 4-{2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M060-0461 |
| Compound Name: | methyl 4-{2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 471.33 |
| Molecular Formula: | C20 H15 Br N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2045 |
| logD: | 4.2034 |
| logSw: | -4.3372 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.823 |
| InChI Key: | LUHALVWTHXHSJD-UHFFFAOYSA-N |