Chemical ID: 5879315

CCCCCc1ccc(cc1)C(=O)N(CCCOC)C(C)c2nc3ccccc3c(=O)n2c4ccc(cc4)C
Chemical ID:
5879315
Name [?]:
N-(3-methoxypropyl)-N-[1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCCOC)C(C)c2nc3ccccc3c(=O)n2c4ccc(cc4)C
InChi [?]:
InChI=1/C33H39N3O3/c1-5-6-7-11-26-16-18-27(19-17-26)32(37)35(22-10-23-39-4)25(3)31-34-30-13-9-8-12-29(30)33(38)36(31)28-20-14-24(2)15-21-28/h8-9,12-21,25H,5-7,10-11,22-23H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,39,21,19,2,3,4,27,26,16,5,28,25,35,37,7,11,8,10,34,38,15,17,36,20,6,9,33,29,24,22,12,30,23,14,32,13,31,18/E:(14,15)(16,17)(18,19)(20,21)/rA:39cCCCCCCCCCCCCONCCCOCCCCNCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s14;s20;s20;d22;s23;s24;d25;s26;d27;d24s28;s29;d30;s22s30;s32;s33;d34;s35;d36;d33s37;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H39N3O3
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:15.5195
Area:798.532
Solvation:-4.44378
Coulombic:-51.6597
Bond Count [?]
All:42
Single:30
Double:12
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:525.681
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.41
LogP (Chemaxon):6.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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