4-(4-chlorophenyl)-2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0762 |
| Compound Name: | 4-(4-chlorophenyl)-2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 420.88 |
| Molecular Formula: | C21 H13 Cl N4 O2 S |
| Smiles: | C(C(c1c[nH]c2ccccc12)=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0447 |
| logD: | 0.6392 |
| logSw: | -4.6708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.556 |
| InChI Key: | YUKUXHWQZQOHAF-UHFFFAOYSA-N |