7-chloro-2-({[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
7-chloro-2-({[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
7-chloro-2-({[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K286-3513 |
| Compound Name: | 7-chloro-2-({[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 573.12 |
| Molecular Formula: | C27 H17 Cl N6 O S3 |
| Smiles: | Cc1ccccc1N1C2=C(c3nc4ccccc4n3C(=N2)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.1668 |
| logD: | 5.1668 |
| logSw: | -5.4588 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.856 |
| InChI Key: | RXDVCGYQPUBCEM-UHFFFAOYSA-N |