1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 5611-2012 |
| Compound Name: | 1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | CC1=CC=CN2C1=NC1=C(C=C(C(=N)N1CCOCCO)S(c1ccc(C)cc1)(=O)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.0572 |
| logD: | 0.8996 |
| logSw: | -2.1959 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.968 |
| InChI Key: | LZQLREGEZNQLDY-UHFFFAOYSA-N |