6-bromo-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
6-bromo-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0255 |
| Compound Name: | 6-bromo-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 386.16 |
| Molecular Formula: | C16 H8 Br N3 O4 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8639 |
| logD: | 3.8633 |
| logSw: | -4.3227 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.561 |
| InChI Key: | QVKNDQSAGJGMTD-UHFFFAOYSA-N |