N-(3-chlorophenyl)-2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G864-0162 |
| Compound Name: | N-(3-chlorophenyl)-2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | COCCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.561 |
| logD: | 3.5609 |
| logSw: | -3.9274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.471 |
| InChI Key: | BIKPWVTYKFGQBL-UHFFFAOYSA-N |