2-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one
2-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 4657-0473 |
| Compound Name: | 2-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 353.36 |
| Molecular Formula: | C16 H11 N5 O3 S |
| Smiles: | C(c1nc2cc(ccc2[nH]1)[N+]([O-])=O)SC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6868 |
| logD: | 2.538 |
| logSw: | -3.5942 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.164 |
| InChI Key: | MWNLBRYOHIDQKH-UHFFFAOYSA-N |