Chemical ID: 6305446

Cc1ccc(cc1)C(=O)Nc2c(c3c(s2)CCCCCCCCCC3)C(=O)N
Chemical ID:
6305446
Name [?]:
14-(4-methylbenzoyl)amino-13-thiabicyclo[10.3.0]pentadeca-14,16-diene-15-carboxamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2c(c3c(s2)CCCCCCCCCC3)C(=O)N
InChi [?]:
InChI=1/C23H30N2O2S/c1-16-12-14-17(15-13-16)22(27)25-23-20(21(24)26)18-10-8-6-4-2-3-5-7-9-11-19(18)28-23/h12-15H,2-11H2,1H3,(H2,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,18,24,17,25,16,3,7,4,6,2,5,13,14,12,26,8,11,28,10,27,9,15/E:(12,13)(14,15)/rA:28nCCCCCCCCONCCCCSCCCCCCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s18;s19;s20;s21;s22;s23;s13s24;s12;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4129
Area:605.496
Solvation:-2.72446
Coulombic:-50.0283
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:398.563
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:5.88
LogP (Chemaxon):5.67

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Descriptor Annotations

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