1-(butan-2-yl)-3-(4-chlorobenzene-1-sulfonyl)-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
1-(butan-2-yl)-3-(4-chlorobenzene-1-sulfonyl)-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
1-(butan-2-yl)-3-(4-chlorobenzene-1-sulfonyl)-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 5611-2007 |
| Compound Name: | 1-(butan-2-yl)-3-(4-chlorobenzene-1-sulfonyl)-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C22 H21 Cl N4 O3 S |
| Smiles: | CCC(C)N1C2=C(C=C(C1=N)S(c1ccc(cc1)[Cl])(=O)=O)C(N1C=C(C)C=CC1=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4666 |
| logD: | 3.2876 |
| logSw: | -3.9223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.866 |
| InChI Key: | QMZSXHFSRUAKLW-AWEZNQCLSA-N |