2-(4-{[1-(adamantan-1-yl)ethyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
2-(4-{[1-(adamantan-1-yl)ethyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-(4-{[1-(adamantan-1-yl)ethyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8015-6614 |
| Compound Name: | 2-(4-{[1-(adamantan-1-yl)ethyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 524.69 |
| Molecular Formula: | C27 H36 N6 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NC(C)C12CC3CC(CC(C3)C2)C1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6802 |
| logD: | 0.5436 |
| logSw: | -3.0679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.947 |
| InChI Key: | MWORTJNDURFSFI-ZCZKMIILSA-N |