4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide
Chemical Structure Depiction of
4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide
4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide
Compound characteristics
| Compound ID: | G864-0151 |
| Compound Name: | 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | COCCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4533 |
| logD: | 1.4531 |
| logSw: | -2.3034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.53 |
| InChI Key: | DNCJISVVEZCBIV-UHFFFAOYSA-N |