2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | M060-0495 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C22 H20 Br N5 O S |
| Smiles: | C1CN(CCN1C(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0119 |
| logD: | 4.0109 |
| logSw: | -4.2186 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.153 |
| InChI Key: | ISDMOKZESPXLEB-UHFFFAOYSA-N |