2-imino-3-(4-methylbenzene-1-sulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
2-imino-3-(4-methylbenzene-1-sulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
2-imino-3-(4-methylbenzene-1-sulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | Y070-2196 |
| Compound Name: | 2-imino-3-(4-methylbenzene-1-sulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | CC(C)OCCCN1C2=C(C=C(C1=N)S(c1ccc(C)cc1)(=O)=O)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5345 |
| logD: | 2.3556 |
| logSw: | -2.8386 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.221 |
| InChI Key: | FXUXRLNRDXVIQE-UHFFFAOYSA-N |