Chemical ID: 5876053

CCCCc1ccc(cc1)C(=O)N(CCOC)C(C)c2nc3ccccc3c(=O)n2c4ccc(cc4C)C
Chemical ID:
5876053
Name [?]:
4-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCOC)C(C)c2nc3ccccc3c(=O)n2c4ccc(cc4C)C
InChi [?]:
InChI=1/C32H37N3O3/c1-6-7-10-25-14-16-26(17-15-25)31(36)34(19-20-38-5)24(4)30-33-28-12-9-8-11-27(28)32(37)35(30)29-18-13-22(2)21-23(29)3/h8-9,11-18,21,24H,6-7,10,19-20H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,38,37,19,17,2,3,25,24,4,26,23,33,6,10,7,9,32,14,15,35,34,36,18,5,8,27,22,31,20,11,28,21,13,30,12,29,16/E:(14,15)(16,17)/rA:38cCCCCCCCCCCCONCCOCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13;s18;s18;d20;s21;s22;d23;s24;d25;d22s26;s27;d28;s20s28;s30;s31;d32;s33;d34;d31s35;s36;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H37N3O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.8942
Area:702.453
Solvation:-3.66713
Coulombic:-51.6187
Bond Count [?]
All:41
Single:29
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:511.655
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.71
LogP (Chemaxon):6.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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