Name: methyl 4-[4-[(3,5-dimethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoyl]benzoate

SMILES: CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Molecular Processing

Molecular formula

C26H22N2O4S

Molecular weight

458.54

Exact mass

458.13

XLogP

4.55

TPSA

78.26

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

0.154

Molar refractivity

128.94

Supplementary Information

InChIKey: QKVSIWXSWCYHRJ-UHFFFAOYSA-N

Synonyme

SCHEMBL7013547