$Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)/N=c2\sccn2COP(=O)(OC(C)(C)C)OC(C)(C)C)cc1C#N$

Name: Di-tert-butyl [(2Z)-2-[({4-[4-chloro-2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-3-cyanophenyl}sulfonyl)imino]-1,3-thiazol-3(2H)-yl]methyl phosphate

SMILES: Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)/N=c2\sccn2COP(=O)(OC(C)(C)C)OC(C)(C)C)cc1C#N

Molecular Processing

Molecular formula

C29H33ClN5O7PS2

Molecular weight

694.17

Exact mass

693.1248

XLogP

7.27

TPSA

147.03

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.345

Molar refractivity

170.31

Supplementary Information

Details werden geladen…