ethyl 2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
ethyl 2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | G856-1279 |
| Compound Name: | ethyl 2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C21 H18 Cl N3 O3 S |
| Smiles: | CCOC(C(C)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4805 |
| logD: | 4.4805 |
| logSw: | -4.5628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.143 |
| InChI Key: | WCPOBVBFCQPZKH-LBPRGKRZSA-N |