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Chemical ID: 4506145
Chemical ID:
4506145
Name [?]:
2-amino-7-dimethylamino-4-(2-thienyl)-4H-chromene-3-carbonitrile
SMILES [?]:
CN(C)c1ccc2c(c1)OC(=C(C2c3cccs3)C#N)N
InChi [?]:
InChI=1/C16H15N3OS/c1-19(2)10-5-6-11-13(8-10)20-16(18)12(9-17)15(11)14-4-3-7-21-14/h3-8,15H,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,5,6,17,9,19,4,7,12,8,14,13,11,20,21,2,10,18/E:(1,2)/rA:21cCNCCCCCCCOCCCCCCCSCNN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s7s12;s13;d14;s15;d16;s14s17;s12;t19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.35466 |
Area: | 478.112 |
Solvation: | -2.59815 |
Coulombic: | -34.5585 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 297.376 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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