(5-{[9-methyl-4-oxo-2-(pentylamino)-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-(pentylamino)-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-(pentylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 5815-1432 |
| Compound Name: | (5-{[9-methyl-4-oxo-2-(pentylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C20 H22 N4 O4 S2 |
| Smiles: | CCCCCNC1=C(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5603 |
| logD: | -1.5587 |
| logSw: | -1.8237 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.975 |
| InChI Key: | XGUCBVURNWEFPI-UHFFFAOYSA-N |