2-[(2-methoxyethyl)amino]-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-[(2-methoxyethyl)amino]-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(2-methoxyethyl)amino]-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4678-0170 |
| Compound Name: | 2-[(2-methoxyethyl)amino]-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C19 H20 N4 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC=C)C(=S)S1)=O)C2=O)NCCOC |
| Stereo: | ACHIRAL |
| logP: | 1.8585 |
| logD: | 1.8582 |
| logSw: | -2.2642 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.911 |
| InChI Key: | JNPWXPADXURJRM-UHFFFAOYSA-N |