ethyl {[3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
ethyl {[3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C145-0426 |
| Compound Name: | ethyl {[3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C20 H16 Cl N3 O3 S |
| Smiles: | CCOC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8986 |
| logD: | 3.8986 |
| logSw: | -4.2481 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.548 |
| InChI Key: | HXALMXWBLYNHFY-UHFFFAOYSA-N |