2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | M060-0410 |
| Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9896 |
| logD: | 2.9885 |
| logSw: | -3.4078 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.957 |
| InChI Key: | OVEIHKKLWCPNIH-UHFFFAOYSA-N |