3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1163 |
| Compound Name: | 3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C24 H20 N4 O4 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(Cc4ccc5c(c4)OCO5)C(=S)S3)=O)C(N2C=1)=O)NCC=C |
| Stereo: | ACHIRAL |
| logP: | 3.2555 |
| logD: | 3.255 |
| logSw: | -3.3983 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.933 |
| InChI Key: | MWWFYZCDVXQVQR-UHFFFAOYSA-N |