CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)N=C1C(CCC(=O)O)NC3=NC=NC4=CC(=C(C=C43)Cl)C(=O)N5CCCC5
Nombre: 4-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-2-yl]-4-[[6-chloro-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]butanoic acid
SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)N=C1C(CCC(=O)O)NC3=NC=NC4=CC(=C(C=C43)Cl)C(=O)N5CCCC5

Molecular Processing

Molecular formula
C29H30Cl2N6O5
Molecular weight
613.5
Exact mass
612.1655
XLogP
6.32
TPSA
139.54
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
159.29

Supplementary Information

InChIKey: HPYBTKYZCHATMF-UHFFFAOYSA-N
Sinónimos
SCHEMBL4164116HPYBTKYZCHATMF-UHFFFAOYSA-N6-chloro-4-[1-(1-tert.-butyloxycarbonyl-5-chloro-1H-benzimidazol-2-yl)-3-hydroxycarbonyl-propyl-amino]-7-(pyrrolidin-1-yl-carbonyl)-quinazoline
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