Chemical ID: 5876831

CC(c1nc2ccccc2c(=O)n1c3ccccc3OC)N(Cc4ccccc4)C(=O)c5cccc(c5)F
Chemical ID:
5876831
Name [?]:
N-benzyl-3-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]benzamide
SMILES [?]:
CC(c1nc2ccccc2c(=O)n1c3ccccc3OC)N(Cc4ccccc4)C(=O)c5cccc(c5)F
InChi [?]:
InChI=1/C31H26FN3O3/c1-21(34(20-22-11-4-3-5-12-22)30(36)23-13-10-14-24(32)19-23)29-33-26-16-7-6-15-25(26)31(37)35(29)27-17-8-9-18-28(27)38-2/h3-19,21H,20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,27,26,28,8,7,16,17,34,25,29,33,35,9,6,15,18,37,23,2,24,32,36,10,5,14,19,3,30,11,38,4,22,13,31,12,20/E:(4,5)(11,12)/rA:38cCCCNCCCCCCCONCCCCCCOCNCCCCCCCCOCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s2;s22;s23;s24;d25;s26;d27;d24s28;s22;d30;s30;s32;d33;s34;d35;d32s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H26FN3O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.5749
Area:662.75
Solvation:-4.99383
Coulombic:-54.9769
Bond Count [?]
All:42
Single:27
Double:15
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:507.555
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.98
LogP (Chemaxon):5.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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