HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67040468Generated: November 3, 2026
Methyl 4-(4-(1-(di-tert-butoxyphosphoryloxy)-2-phenylpropan-2-ylcarbamoyl)-2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)phenylthio)phenylcarbamate
https://huagongshe.com/en/chemical/67040468
Identifiers & Physical Properties
| Molecular formula | C42H51N6O7PS |
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| Average molar mass | 814.9 g/mol |
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| Monoisotopic mass | 814.32775616 g/mol |
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| SMILES | COC(=O)Nc1ccc(Sc2ccc(C(=O)NC(C)(COP(=O)(OC(C)(C)C)OC(C)(C)C)c3ccccc3)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1 |
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| InChIKey | DFGGWBXDRWBEMZ-UHFFFAOYSA-N |
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| PubChem CID | 67040468 |
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Chemical & Physical Properties
| XLogP | 7.7 |
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| Topological polar surface area | 188 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 12 |
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| Rotatable bonds | 17 |
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| Heavy atoms | 57 |
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| Formal charge | 0 |
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| Complexity | 1,330 |
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![Methyl 4-(4-(1-(di-tert-butoxyphosphoryloxy)-2-phenylpropan-2-ylcarbamoyl)-2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)phenylthio)phenylcarbamate molecular structure](/img/chemical/67040468.png)