2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0795 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 524.62 |
| Molecular Formula: | C25 H24 N4 O5 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCCOC)C(=S)S3)=O)C(N2C=1)=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.79 |
| logD: | 2.7899 |
| logSw: | -3.2571 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.412 |
| InChI Key: | VMLVQMQPMZXNEV-UHFFFAOYSA-N |