8-ethyl-2-{4-[(4-methoxy-4-oxo-2-phenylbutyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
8-ethyl-2-{4-[(4-methoxy-4-oxo-2-phenylbutyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-2-{4-[(4-methoxy-4-oxo-2-phenylbutyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8015-6577 |
| Compound Name: | 8-ethyl-2-{4-[(4-methoxy-4-oxo-2-phenylbutyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 538.63 |
| Molecular Formula: | C26 H30 N6 O5 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NCC(CC(=O)OC)c1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5599 |
| logD: | -0.5767 |
| logSw: | -2.6081 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.329 |
| InChI Key: | WNSYIADZHXFUOW-SFHVURJKSA-N |