(5-{[9-methyl-4-oxo-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[9-methyl-4-oxo-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[9-methyl-4-oxo-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 5815-0921 |
| Compound Name: | (5-{[9-methyl-4-oxo-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C21 H15 N3 O4 S3 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C1/C(N(CC(O)=O)C(=S)S1)=O)C2=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2284 |
| logD: | -0.8905 |
| logSw: | -2.4496 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.436 |
| InChI Key: | LIPOALIJTABLKQ-UHFFFAOYSA-N |