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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67040887Generated: October 29, 2026

(S)-tert-butyl 4-(2-(7-isopropylquinazolin-4-ylamino)-4-(1-phenylethylcarbamoyl)phenylthio)phenylcarbamate

https://huagongshe.com/en/chemical/67040887

(S)-tert-butyl 4-(2-(7-isopropylquinazolin-4-ylamino)-4-(1-phenylethylcarbamoyl)phenylthio)phenylcarbamate molecular structure

Identifiers & Physical Properties

Molecular formulaC37H39N5O3S
Average molar mass633.8 g/mol
Monoisotopic mass633.2773613 g/mol
SMILESCC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2c1
InChIKeyKXFDKGHLEOVRMJ-DEOSSOPVSA-N
PubChem CID67040887

Chemical & Physical Properties

XLogP8.3
Topological polar surface area131
Hydrogen bond donors3
Hydrogen bond acceptors7
Rotatable bonds11
Heavy atoms46
Formal charge0
Complexity977