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Chemical ID: 5992590
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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