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Chemical ID: 5875423
Chemical ID:
5875423
Name [?]:
N-(2-methoxyethyl)-N-[1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]propyl]-3-(trifluoromethyl)benzamide
SMILES [?]:
CCC(c1nc2ccccc2c(=O)n1c3cccc(c3)C)N(CCOC)C(=O)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C29H28F3N3O3/c1-4-25(34(15-16-38-3)27(36)20-10-8-11-21(18-20)29(30,31)32)26-33-24-14-6-5-13-23(24)28(37)35(26)22-12-7-9-19(2)17-22/h5-14,17-18,25H,4,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,26,2,9,8,17,31,18,30,32,16,10,7,23,24,20,34,19,29,33,15,11,6,3,4,27,12,35,36,37,38,5,22,14,28,13,25/E:(30,31,32)/rA:38cCCCCNCCCCCCCONCCCCCCCNCCOCCOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;d16;s17;d18;d15s19;s19;s3;s22;s23;s24;s25;s22;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H28F3N3O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2155 |
Area: | 696.193 |
Solvation: | -5.18929 |
Coulombic: | -68.9894 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 523.546 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.73 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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