2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | M060-0586 |
| Compound Name: | 2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(N1CCN(CC1)c1ccccc1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.3162 |
| logD: | 3.3151 |
| logSw: | -3.6891 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.696 |
| InChI Key: | QZOGWGUNFISFLM-UHFFFAOYSA-N |