Chemical ID: 5378309

CC1(C2CCC1(C(=NNC(=S)Nc3cccc(c3)OC)C2)C)C
Chemical ID:
5378309
Name [?]:
3-(3-methoxyphenyl)-1-(1,7,7-trimethylnorbornan-2-ylidene)amino-thiourea
SMILES [?]:
CC1(C2CCC1(C(=NNC(=S)Nc3cccc(c3)OC)C2)C)C
InChi [?]:
InChI=1/C18H25N3OS/c1-17(2)12-8-9-18(17,3)15(10-12)20-21-16(23)19-13-6-5-7-14(11-13)22-4/h5-7,11-12H,8-10H2,1-4H3,(H2,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,20,15,14,16,4,5,21,18,3,13,17,7,10,2,6,12,8,9,19,11/E:(1,2)/rA:23cCCCCCCCNNCSNCCCCCCOCCCC/rB:s1;s2;s3;s4;s2s5;s6;w7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s3s7;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:10.5314
Area:529.434
Solvation:-2.70444
Coulombic:-30.8418
Bond Count [?]
All:25
Single:20
Double:5
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:331.477
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.69
LogP (Chemaxon):5.36

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Descriptor Annotations

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