Chemical ID: 5879543

CCCCc1ccc(cc1)C(=O)N(CCCOC)C(C)c2nc3ccccc3c(=O)n2c4ccc(cc4C)C
Chemical ID:
5879543
Name [?]:
4-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCCOC)C(C)c2nc3ccccc3c(=O)n2c4ccc(cc4C)C
InChi [?]:
InChI=1/C33H39N3O3/c1-6-7-11-26-15-17-27(18-16-26)32(37)35(20-10-21-39-5)25(4)31-34-29-13-9-8-12-28(29)33(38)36(31)30-19-14-23(2)22-24(30)3/h8-9,12-19,22,25H,6-7,10-11,20-21H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,39,38,20,18,2,3,26,25,15,4,27,24,34,6,10,7,9,33,14,16,36,35,37,19,5,8,28,23,32,21,11,29,22,13,31,12,30,17/E:(15,16)(17,18)/rA:39cCCCCCCCCCCCONCCCOCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;s13;s19;s19;d21;s22;s23;d24;s25;d26;d23s27;s28;d29;s21s29;s31;s32;d33;s34;d35;d32s36;s37;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H39N3O3
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:14.1862
Area:746.263
Solvation:-4.47039
Coulombic:-51.2444
Bond Count [?]
All:42
Single:30
Double:12
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:525.681
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.07
LogP (Chemaxon):6.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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