2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
Chemical Structure Depiction of
2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
Compound characteristics
| Compound ID: | 8018-8326 |
| Compound Name: | 2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C18 H12 N4 O2 S |
| Smiles: | C(C1=CC(n2c3ccccc3nc2N1)=O)Sc1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5315 |
| logD: | 3.4112 |
| logSw: | -3.7777 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.989 |
| InChI Key: | PNNTWFUHOPXOPZ-UHFFFAOYSA-N |