3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3541-1280 |
| Compound Name: | 3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(C3CCCCC3)C(=S)S1)=O)C2=O)NCC=C |
| Stereo: | ACHIRAL |
| logP: | 3.4014 |
| logD: | 3.3996 |
| logSw: | -3.6211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.541 |
| InChI Key: | WPAQUCJBQVSGJP-UHFFFAOYSA-N |