8-ethyl-5-oxo-2-{4-[(prop-2-en-1-yl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
8-ethyl-5-oxo-2-{4-[(prop-2-en-1-yl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-5-oxo-2-{4-[(prop-2-en-1-yl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8015-4898 |
| Compound Name: | 8-ethyl-5-oxo-2-{4-[(prop-2-en-1-yl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C18 H22 N6 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NCC=C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0015 |
| logD: | -2.1381 |
| logSw: | -2.421 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.864 |
| InChI Key: | RELABGYBHQSLNE-UHFFFAOYSA-N |