2-imino-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-phenylethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
2-imino-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-phenylethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
2-imino-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-phenylethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 5611-1860 |
| Compound Name: | 2-imino-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-phenylethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | CC1C=CC2=NC3=C(C=C(C(=N)N3CCc3ccccc3)S(c3ccc(C)cc3)(=O)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8716 |
| logD: | 3.6141 |
| logSw: | -3.9804 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.267 |
| InChI Key: | FCMCTNAOUFUMTF-UHFFFAOYSA-N |