3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | IB02-6517 |
| Compound Name: | 3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C22 H26 N4 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(C3CCCC3)C(=S)S1)=O)C2=O)NCCOCCO |
| Stereo: | ACHIRAL |
| logP: | 1.48 |
| logD: | 1.48 |
| logSw: | -2.47 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 237.73 |
| InChI Key: | VXEXCYQFGMNNMG-UHFFFAOYSA-N |