3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0833 |
| Compound Name: | 3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C23 H21 N3 O3 S3 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCCOC)C(=S)S1)=O)C2=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9837 |
| logD: | 3.9837 |
| logSw: | -4.0777 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 48.373 |
| InChI Key: | QTVVSSPQWRHVTI-UHFFFAOYSA-N |