Chemical ID: 4506145

CN(C)c1ccc2c(c1)OC(=C(C2c3cccs3)C#N)N
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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Descriptor Annotations

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