Basic information
- Standard 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- InChIKey
DFGGWBXDRWBEMZ-UHFFFAOYSA-N- Molecular formula
- C42H51N6O7PS
- Average molar mass
- 814.9 g/mol
- Monoisotopic mass
- 814.32775616
Names & identifiers
- Preferred name
- Methyl 4-(4-(1-(di-tert-butoxyphosphoryloxy)-2-phenylpropan-2-ylcarbamoyl)-2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)phenylthio)phenylcarbamate
- IUPAC
- methyl N-[4-[4-[[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-2-phenylpropan-2-yl]carbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate
Names & synonyms
SCHEMBL1454969DFGGWBXDRWBEMZ-UHFFFAOYSA-Nmethyl 4-(4-(1-(di-tert-butoxyphosphoryloxy)-2-phenylpropan-2-ylcarbamoyl)-2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)phenylthio)phenylcarbamate
Database identifiers
- PubChem CID
- 67040468
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
2 records
Compound notes
Loading…