3-(4-bromobenzene-1-sulfonyl)-1-butyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
3-(4-bromobenzene-1-sulfonyl)-1-butyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
3-(4-bromobenzene-1-sulfonyl)-1-butyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | Y070-2109 |
| Compound Name: | 3-(4-bromobenzene-1-sulfonyl)-1-butyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | CCCCN1C2=C(C=C(C1=N)S(c1ccc(cc1)[Br])(=O)=O)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5404 |
| logD: | 3.4291 |
| logSw: | -3.6923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.02 |
| InChI Key: | QOOLSKCCZYZYCG-UHFFFAOYSA-N |