2-imino-1-(3-methoxypropyl)-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
2-imino-1-(3-methoxypropyl)-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
2-imino-1-(3-methoxypropyl)-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 5611-1977 |
| Compound Name: | 2-imino-1-(3-methoxypropyl)-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CC1C=CC2=NC3=C(C=C(C(=N)N3CCCOC)S(c3ccc(C)cc3)(=O)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3647 |
| logD: | 2.1857 |
| logSw: | -2.8091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.881 |
| InChI Key: | JSBHDOPHYRNHKO-UHFFFAOYSA-N |