Chemical ID: 5879447

CCCCCc1ccc(cc1)C(=O)N(CCCOC)C(CC)c2nc3ccccc3c(=O)n2c4ccccc4
Chemical ID:
5879447
Name [?]:
N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenyl-quinazolin-2-yl)propyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCCOC)C(CC)c2nc3ccccc3c(=O)n2c4ccccc4
InChi [?]:
InChI=1/C33H39N3O3/c1-4-6-8-14-25-19-21-26(22-20-25)32(37)35(23-13-24-39-3)30(5-2)31-34-29-18-12-11-17-28(29)33(38)36(31)27-15-9-7-10-16-27/h7,9-12,15-22,30H,4-6,8,13-14,23-24H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,19,2,21,3,37,4,36,38,28,27,16,5,35,39,29,26,7,11,8,10,15,17,6,9,34,30,25,20,23,12,31,24,14,33,13,32,18/E:(9,10)(15,16)(19,20)(21,22)/rA:39cCCCCCCCCCCCCONCCCOCCCCCNCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s14;s20;s21;s20;d23;s24;s25;d26;s27;d28;d25s29;s30;d31;s23s31;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H39N3O3
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:14.9401
Area:772.949
Solvation:-4.38367
Coulombic:-52.3796
Bond Count [?]
All:42
Single:30
Double:12
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:525.681
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.33
LogP (Chemaxon):6.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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