Chemical ID: 5877775

CCCCN(C(CC)c1nc2ccccc2c(=O)n1c3ccccc3OC)C(=O)Nc4ccc(cc4)OC
Chemical ID:
5877775
Name [?]:
1-butyl-3-(4-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]urea
SMILES [?]:
CCCCN(C(CC)c1nc2ccccc2c(=O)n1c3ccccc3OC)C(=O)Nc4ccc(cc4)OC
InChi [?]:
InChI=1/C30H34N4O4/c1-5-7-20-33(30(36)31-21-16-18-22(37-3)19-17-21)25(6-2)28-32-24-13-9-8-12-23(24)29(35)34(28)26-14-10-11-15-27(26)38-4/h8-19,25H,5-7,20H2,1-4H3,(H,31,36)
InChi Info:
AuxInfo=1/1/N:1,8,38,27,2,7,3,14,13,22,23,15,12,21,24,32,36,33,35,4,31,34,16,11,6,20,25,9,17,28,30,10,5,19,18,29,37,26/E:(16,17)(18,19)/rA:38cCCCCNCCCCNCCCCCCCONCCCCCCOCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s9s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s5;d28;s28;s30;s31;d32;s33;d34;d31s35;s34;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H34N4O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:12.2661
Area:714.291
Solvation:-5.59114
Coulombic:-69.5002
Bond Count [?]
All:41
Single:29
Double:12
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:514.616
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.22
LogP (Chemaxon):5.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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