2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 5611-1895 |
| Compound Name: | 2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | CC1=CC=CN2C1=NC1=C(C=C(C(=N)N1Cc1cccnc1)S(c1ccc(C)cc1)(=O)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.4255 |
| logD: | 2.2265 |
| logSw: | -2.4355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.308 |
| InChI Key: | XEISDCKCFLTHEC-UHFFFAOYSA-N |