Chemical ID: 5992590

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)N(C)C)NC(=O)Nc3ccccc3C
Chemical ID:
5992590
Name [?]:
N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(o-tolylcarbamoylamino)pentanamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)N(C)C)NC(=O)Nc3ccccc3C
InChi [?]:
InChI=1/C24H30N6O2S/c1-6-15(2)20(26-23(32)25-19-10-8-7-9-16(19)3)21(31)27-24-29-28-22(33-24)17-11-13-18(14-12-17)30(4)5/h7-15,20H,6H2,1-5H3,(H2,25,26,32)(H,27,29,31)
InChi Info:
AuxInfo=1/1/N:1,4,33,21,22,2,30,29,31,28,15,19,16,18,3,32,14,17,27,5,6,12,24,9,26,23,8,11,10,20,7,25,13/E:(4,5)(11,12)(13,14)/rA:33cCCCCCCONCNNCSCCCCCCNCCNCONCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s20;s5;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N6O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:14.1451
Area:723.743
Solvation:-3.94848
Coulombic:-68.0947
Bond Count [?]
All:35
Single:25
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:466.6
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:5.03
LogP (Chemaxon):4.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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