Chemical ID: 5875459

CCCCC(=O)N(CC(C)C)C(CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)OC
Chemical ID:
5875459
Name [?]:
N-isobutyl-N-[1-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]pentanamide
SMILES [?]:
CCCCC(=O)N(CC(C)C)C(CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)OC
InChi [?]:
InChI=1/C27H35N3O3/c1-6-8-13-25(31)29(18-19(3)4)24(7-2)26-28-23-12-10-9-11-22(23)27(32)30(26)20-14-16-21(33-5)17-15-20/h9-12,14-17,19,24H,6-8,13,18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,14,10,11,33,2,13,3,20,19,21,18,4,27,31,28,30,8,9,26,29,22,17,12,5,15,23,16,7,25,6,24,32/E:(3,4)(14,15)(16,17)/rA:33cCCCCCONCCCCCCCCNCCCCCCCONCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s9;s7;s12;s13;s12;d15;s16;s17;d18;s19;d20;d17s21;s22;d23;s15s23;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H35N3O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.9802
Area:632.336
Solvation:-3.82816
Coulombic:-48.1099
Bond Count [?]
All:35
Single:26
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:449.585
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.22
LogP (Chemaxon):5.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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