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Chemical ID: 7358486
Chemical ID:
7358486
Name [?]:
N-indan-5-yl-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1cccc(c1)c2nnc(n2c3ccccc3)SCC(=O)Nc4ccc5c(c4)CCC5
InChi [?]:
InChI=1/C26H24N4OS/c1-18-7-5-10-21(15-18)25-28-29-26(30(25)23-11-3-2-4-12-23)32-17-24(31)27-22-14-13-19-8-6-9-20(19)16-22/h2-5,7,10-16H,6,8-9,17H2,1H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,4,31,3,32,30,5,14,18,26,25,7,29,20,2,27,28,6,24,13,21,8,11,23,9,10,12,22,19/E:(3,4)(11,12)/rA:32nCCCCCCCCNNCNCCCCCCSCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s11;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N4OS |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9377 |
Area: | 674.761 |
Solvation: | -2.93129 |
Coulombic: | -35.3081 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 440.561 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.43 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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