Chemical ID: 4565134

CCCN1C(N(c2ccccc2C1=O)C(=O)Nc3ccccc3)c4cccc(c4OC)OC
Chemical ID:
4565134
Name [?]:
2-(2,3-dimethoxyphenyl)-N,N-bis[2-(2,3-dimethoxyphenyl)-4-oxo-3-propyl-2H-quinazolin-2-yl]-4-oxo-3-propyl-2H-quinazoline-1-carboxamide
SMILES [?]:
CCCN1C(N(c2ccccc2C1=O)C(=O)Nc3ccccc3)c4cccc(c4OC)OC
InChi [?]:
InChI=1/C26H27N3O4/c1-4-17-28-24(20-14-10-16-22(32-2)23(20)33-3)29(21-15-9-8-13-19(21)25(28)30)26(31)27-18-11-6-5-7-12-18/h5-16,24H,4,17H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,33,31,2,21,20,22,10,9,26,19,23,11,25,8,27,3,18,12,24,7,28,29,5,13,15,17,4,6,14,16,32,30/E:(6,7)(11,12)/rA:33cCCCNCNCCCCCCCOCONCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s4s12;d13;s6;d15;s15;s17;s18;d19;s20;d21;d18s22;s5;s24;d25;s26;d27;d24s28;s29;s30;s28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.6544
Area:583.043
Solvation:-4.92167
Coulombic:-64.4797
Bond Count [?]
All:36
Single:25
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:445.51
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.25
LogP (Chemaxon):4.66

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Descriptor Annotations

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