Chemical ID: 3902126

CCN1CCCC1CN(Cc2cc3cccc(c3[nH]c2=O)C)C(=O)Nc4cccc(c4)Cl
Chemical ID:
3902126
Name [?]:
3-(3-chlorophenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILES [?]:
CCN1CCCC1CN(Cc2cc3cccc(c3[nH]c2=O)C)C(=O)Nc4cccc(c4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29ClN4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:13.8552
Area:673.231
Solvation:-2.97559
Coulombic:-58.3883
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:452.976
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.57
LogP (Chemaxon):4.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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