Chemical ID: 5873656

CCCCCc1ccc(cc1)C(=O)N(C)C(C)c2nc3ccccc3c(=O)n2CCC
Chemical ID:
5873656
Name [?]:
N-methyl-N-[1-(4-oxo-3-propyl-quinazolin-2-yl)ethyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(C)C(C)c2nc3ccccc3c(=O)n2CCC
InChi [?]:
InChI=1/C26H33N3O2/c1-5-7-8-11-20-14-16-21(17-15-20)25(30)28(4)19(3)24-27-23-13-10-9-12-22(23)26(31)29(24)18-6-2/h9-10,12-17,19H,5-8,11,18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,17,15,2,30,3,4,23,22,5,24,21,7,11,8,10,29,16,6,9,25,20,18,12,26,19,14,28,13,27/E:(14,15)(16,17)/rA:31cCCCCCCCCCCCCONCCCCNCCCCCCCONCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s14;s16;s16;d18;s19;s20;d21;s22;d23;d20s24;s25;d26;s18s26;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:14.6292
Area:678.995
Solvation:-2.34566
Coulombic:-44.2561
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:419.559
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.02
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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