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Chemical ID: 5617651
Chemical ID:
5617651
Name [?]:
2-(3-carbamoylphenyl)imino-7-diethylamino-chromene-3-carboxamide
SMILES [?]:
CCN(CC)c1ccc2cc(c(=Nc3cccc(c3)C(=O)N)oc2c1)C(=O)N
InChi [?]:
InChI=1/C21H22N4O3/c1-3-25(4-2)16-9-8-13-11-17(20(23)27)21(28-18(13)12-16)24-15-7-5-6-14(10-15)19(22)26/h5-12H,3-4H2,1-2H3,(H2,22,26)(H2,23,27)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,17,15,8,7,19,10,25,9,18,14,6,11,24,20,26,12,22,28,13,3,21,27,23/E:(1,2)(3,4)/rA:28nCCNCCCCCCCCCNCCCCCCCONOCCCON/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s12;d9s23;d6s24;s11;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N4O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.01 |
Area: | 570.698 |
Solvation: | -4.25744 |
Coulombic: | -71.9274 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 378.425 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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