3-(4-chlorobenzene-1-sulfonyl)-1-[(furan-2-yl)methyl]-2-imino-8-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-[(furan-2-yl)methyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
3-(4-chlorobenzene-1-sulfonyl)-1-[(furan-2-yl)methyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 5611-1872 |
| Compound Name: | 3-(4-chlorobenzene-1-sulfonyl)-1-[(furan-2-yl)methyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 480.93 |
| Molecular Formula: | C23 H17 Cl N4 O4 S |
| Smiles: | CC1C=CC2=NC3=C(C=C(C(=N)N3Cc3ccco3)S(c3ccc(cc3)[Cl])(=O)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1973 |
| logD: | 2.5902 |
| logSw: | -3.6828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.038 |
| InChI Key: | NLYYJUQJVOTXQJ-UHFFFAOYSA-N |