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Chemical ID: 4879407
Chemical ID:
4879407
Name [?]:
2-amino-N-(2H-chromen-3-ylmethyleneamino)-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)NN=CC2=Cc3ccccc3OC2)N
InChi [?]:
InChI=1/C19H19N3O2/c20-17(11-14-6-2-1-3-7-14)19(23)22-21-12-15-10-16-8-4-5-9-18(16)24-13-15/h1-10,12,17H,11,13,20H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,15,7,13,23,4,14,16,8,21,9,24,12,11,10,22/E:(2,3)(6,7)/rA:24cCCCCCCCCCONNCCCCCCCCCOCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;w12;s13;d14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89036 |
Area: | 538.054 |
Solvation: | -4.561 |
Coulombic: | -40.4308 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.373 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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