4-(4-chlorophenyl)-2-{[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-{[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-{[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0913 |
| Compound Name: | 4-(4-chlorophenyl)-2-{[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C22 H15 Cl N4 O4 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)C(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3351 |
| logD: | -0.0704 |
| logSw: | -3.8663 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.294 |
| InChI Key: | KGOPTAJBRYUEOO-LLVKDONJSA-N |