methyl 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G864-0141 |
| Compound Name: | methyl 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | COCCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8982 |
| logD: | 2.8981 |
| logSw: | -3.4238 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.645 |
| InChI Key: | OFXHEULLBACVGP-UHFFFAOYSA-N |