9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
Compound ID: | 3541-1285 |
Compound Name: | 9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
Molecular Weight: | 462.59 |
Molecular Formula: | C24 H22 N4 O2 S2 |
Smiles: | CC(c1ccccc1)N1C(/C(=C/C2=C(NCC=C)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5683 |
logD: | 3.5665 |
logSw: | -3.7594 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.66 |
InChI Key: | BNOWUPJMKHRLTB-INIZCTEOSA-N |