Chemical ID: 5874853

CCCN(C(C)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)c4cccc(c4)OC
Chemical ID:
5874853
Name [?]:
N-[1-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]ethyl]-3-methoxy-N-propyl-benzamide
SMILES [?]:
CCCN(C(C)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C27H26ClN3O3/c1-4-15-30(26(32)19-9-7-12-22(16-19)34-3)18(2)25-29-24-14-6-5-13-23(24)27(33)31(25)21-11-8-10-20(28)17-21/h5-14,16-18H,4,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,6,34,2,12,11,29,20,28,21,19,30,13,10,3,32,23,5,27,22,18,31,14,9,7,25,15,24,8,4,17,26,16,33/rA:34cCCCNCCCNCCCCCCCONCCCCCCClCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s14;d15;s7s15;s17;s18;d19;s20;d21;d18s22;s22;s4;d25;s25;s27;d28;s29;d30;d27s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26ClN3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.7781
Area:673.801
Solvation:-4.06695
Coulombic:-50.1535
Bond Count [?]
All:37
Single:25
Double:12
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:475.966
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.52
LogP (Chemaxon):5.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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