1-butyl-2-imino-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
1-butyl-2-imino-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
1-butyl-2-imino-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: | 5611-1941 |
| Compound Name: | 1-butyl-2-imino-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCCCN1C2=C(C=C(C1=N)S(c1ccc(C)cc1)(=O)=O)C(N1C=C(C)C=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4341 |
| logD: | 3.3227 |
| logSw: | -3.6728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.539 |
| InChI Key: | BDZMKQRUIKSUHM-UHFFFAOYSA-N |