3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
Compound ID: | 4578-1165 |
Compound Name: | 3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
Molecular Weight: | 579.7 |
Molecular Formula: | C28 H29 N5 O5 S2 |
Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(Cc4ccc5c(c4)OCO5)C(=S)S3)=O)C(N2C=1)=O)NCCCN1CCOCC1 |
Stereo: | ACHIRAL |
logP: | 2.5823 |
logD: | 2.4098 |
logSw: | -3.0298 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.552 |
InChI Key: | FFJCMJJEGGBNQB-UHFFFAOYSA-N |