ethyl 4-{2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M060-0430 |
| Compound Name: | ethyl 4-{2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 485.36 |
| Molecular Formula: | C21 H17 Br N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7151 |
| logD: | 4.7141 |
| logSw: | -4.4959 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.403 |
| InChI Key: | QPVNJINQFBCNRY-UHFFFAOYSA-N |