9-methyl-2-[(2-methylpropyl)amino]-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
9-methyl-2-[(2-methylpropyl)amino]-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
9-methyl-2-[(2-methylpropyl)amino]-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: | Y070-2341 |
| Compound Name: | 9-methyl-2-[(2-methylpropyl)amino]-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: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | CC(C)CNC1=C(/C=C2/C(N(CC=C)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9901 |
| logD: | 2.99 |
| logSw: | -3.2275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.728 |
| InChI Key: | OWABRBKPZRKVFY-UHFFFAOYSA-N |