HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69055100Generated: November 3, 2026
N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydro-cyclopropa[c]chromen-1-yl]-N'-[5-(4-fluorobenzoyl)-2-pyridinyl]urea
https://huagongshe.com/en/chemical/69055100
Identifiers & Physical Properties
| Molecular formula | C23H16F3N3O3 |
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| Average molar mass | 439.4 g/mol |
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| Monoisotopic mass | 439.11437587 g/mol |
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| SMILES | O=C(Nc1ccc(C(=O)c2ccc(F)cc2)cn1)N[C@@H]1[C@@H]2COc3c(F)ccc(F)c3[C@@H]21 |
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| InChIKey | NWLQOTVQQNWBJE-LXGCGDOSSA-N |
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| PubChem CID | 69055100 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 80.3 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 32 |
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| Formal charge | 0 |
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| Complexity | 720 |
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![N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydro-cyclopropa[c]chromen-1-yl]-N'-[5-(4-fluorobenzoyl)-2-pyridinyl]urea molecular structure](/img/chemical/69055100.png)