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Chemical ID: 7074094
Chemical ID:
7074094
Name [?]:
N-[(4-dimethylaminophenyl)methyleneamino]-4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-thiazol-2-amine
SMILES [?]:
CC1CN(CC(O1)C)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)N(C)C
InChi [?]:
InChI=1/C24H29N5O3S2/c1-17-14-29(15-18(2)32-17)34(30,31)22-7-5-6-20(12-22)23-16-33-24(26-23)27-25-13-19-8-10-21(11-9-19)28(3)4/h5-13,16-18H,14-15H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,8,33,34,14,15,13,27,31,28,30,17,25,3,5,19,2,6,26,16,29,12,18,21,24,22,23,32,4,10,11,7,20,9/E:(1,2)(3,4)(8,9)(10,11)(14,15)(17,18)(30,31)/CRV:34.6/rA:34cCCCNCCOCSOOCCCCCCCCSCNNNCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;d18;s19;s20;s18d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s29;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N5O3S2 |
All Atoms: | 63 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.7226 |
Area: | 758.417 |
Solvation: | -5.23782 |
Coulombic: | -38.5447 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 499.651 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.99 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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