Chemical ID: 5439495

CC(=C)CN=c1n(c(cs1)c2cc(ccc2OC)OC)N=Cc3c(cc(cc3OC)OC)OC
Chemical ID:
5439495
Name [?]:
4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(2,4,6-trimethoxyphenyl)methyleneamino]thiazol-2-imine
SMILES [?]:
CC(=C)CN=c1n(c(cs1)c2cc(ccc2OC)OC)N=Cc3c(cc(cc3OC)OC)OC
InChi [?]:
InChI=1/C25H29N3O5S/c1-16(2)13-26-25-28(21(15-34-25)19-10-17(29-3)8-9-22(19)31-5)27-14-20-23(32-6)11-18(30-4)12-24(20)33-7/h8-12,14-15H,1,13H2,2-7H3
InChi Info:
AuxInfo=1/0/N:3,1,20,32,18,30,34,14,15,12,27,25,4,22,9,2,13,26,11,23,8,16,28,24,6,5,21,7,19,31,17,29,33,10/E:(6,7)(11,12)(23,24)(32,33)/rA:34nCCCCNCNCCSCCCCCCOCOCNCCCCCCCOCOCOC/rB:s1;d2;s2;s4;w5;s6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;s7;w21;s22;s23;d24;s25;d26;d23s27;s28;s29;s26;s31;s24;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29N3O5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:7.89805
Area:615.505
Solvation:-7.48958
Coulombic:-47.6262
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:2
Rigid Segments:10
Chemical Properties
Molecular Weight:483.581
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.62
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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