Chemical ID: 5999712

CCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)c3ccc(cc3)c4ccccc4
Chemical ID:
5999712
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-4-phenyl-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C27H26ClN3O3/c1-2-16-29(27(34)22-10-8-21(9-11-22)20-6-4-3-5-7-20)17-25(32)30-18-26(33)31(19-30)24-14-12-23(28)13-15-24/h3-15H,2,16-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,32,31,33,30,34,25,27,24,28,16,18,15,19,3,5,9,13,29,26,23,17,14,6,10,21,20,4,8,12,7,11,22/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34nCCCNCCONCCONCCCCCCCClCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s8s12;s12;s14;d15;s16;d17;d14s18;s17;s4;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26ClN3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.4032
Area:726.174
Solvation:-4.75111
Coulombic:-52.7927
Bond Count [?]
All:37
Single:25
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:475.966
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.03
LogP (Chemaxon):4.42

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Experimental Annotations

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Descriptor Annotations

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