Chemical ID: 4302956

CCN(CC)c1ccc2cc(c(=Nc3ccc(cc3)C(F)(F)F)oc2c1)C(=O)N
Chemical ID:
4302956
Name [?]:
7-diethylamino-2-[4-(trifluoromethyl)phenyl]imino-chromene-3-carboxamide
SMILES [?]:
CCN(CC)c1ccc2cc(c(=Nc3ccc(cc3)C(F)(F)F)oc2c1)C(=O)N
InChi [?]:
InChI=1/C21H20F3N3O2/c1-3-27(4-2)16-10-5-13-11-17(19(25)28)20(29-18(13)12-16)26-15-8-6-14(7-9-15)21(22,23)24/h5-12H,3-4H2,1-2H3,(H2,25,28)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,16,18,15,19,7,10,26,9,17,14,6,11,25,27,12,20,21,22,23,29,13,3,28,24/E:(1,2)(3,4)(6,7)(8,9)(22,23,24)/rA:29nCCNCCCCCCCCCNCCCCCCCFFFOCCCON/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;s12;d9s24;d6s25;s11;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20F3N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.3591
Area:565.333
Solvation:-3.77428
Coulombic:-65.435
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:403.398
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.22
LogP (Chemaxon):5.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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