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Chemical ID: 5439495
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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