3-(4-chlorobenzene-1-sulfonyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
3-(4-chlorobenzene-1-sulfonyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
3-(4-chlorobenzene-1-sulfonyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 5611-2015 |
| Compound Name: | 3-(4-chlorobenzene-1-sulfonyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 488.95 |
| Molecular Formula: | C22 H21 Cl N4 O5 S |
| Smiles: | CC1=CC=CN2C1=NC1=C(C=C(C(=N)N1CCOCCO)S(c1ccc(cc1)[Cl])(=O)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.2286 |
| logD: | 1.071 |
| logSw: | -2.6088 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.968 |
| InChI Key: | GTEGANCOBWUGSN-UHFFFAOYSA-N |