ethyl 4-({[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetyl)piperazine-1-carboxylate
ethyl 4-({[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G856-1032 |
| Compound Name: | ethyl 4-({[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetyl)piperazine-1-carboxylate |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C26 H27 N5 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8309 |
| logD: | 2.8309 |
| logSw: | -3.2656 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.834 |
| InChI Key: | RAJFMECTJIMRND-UHFFFAOYSA-N |