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Chemical ID: 5999712
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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