1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | M060-0095 |
| Compound Name: | 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSc1c2c(c3ccccc3[nH]2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3811 |
| logD: | 3.3802 |
| logSw: | -3.6309 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.696 |
| InChI Key: | XNIUDYXYEUTLNJ-UHFFFAOYSA-N |