3-(4-chlorobenzene-1-sulfonyl)-2-imino-8-methyl-1-[(pyridin-3-yl)methyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
3-(4-chlorobenzene-1-sulfonyl)-2-imino-8-methyl-1-[(pyridin-3-yl)methyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
3-(4-chlorobenzene-1-sulfonyl)-2-imino-8-methyl-1-[(pyridin-3-yl)methyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
Compound ID: | 5611-1899 |
Compound Name: | 3-(4-chlorobenzene-1-sulfonyl)-2-imino-8-methyl-1-[(pyridin-3-yl)methyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
Molecular Weight: | 491.95 |
Molecular Formula: | C24 H18 Cl N5 O3 S |
Smiles: | CC1C=CC2=NC3=C(C=C(C(=N)N3Cc3cccnc3)S(c3ccc(cc3)[Cl])(=O)=O)C(N2C=1)=O |
Stereo: | ACHIRAL |
logP: | 2.6307 |
logD: | 2.4316 |
logSw: | -3.4187 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.807 |
InChI Key: | PBHBVIZMQCGTBX-UHFFFAOYSA-N |