Chemical ID: 6319378

CC(C)(C)C1CCc2c(sc(c2C(=O)N(C)C)NC(=O)c3ccccc3Br)C1
Chemical ID:
6319378
Name [?]:
2-(2-bromobenzoyl)amino-N,N-dimethyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CC(C)(C)C1CCc2c(sc(c2C(=O)N(C)C)NC(=O)c3ccccc3Br)C1
InChi [?]:
InChI=1/C22H27BrN2O2S/c1-22(2,3)13-10-11-15-17(12-13)28-20(18(15)21(27)25(4)5)24-19(26)14-8-6-7-9-16(14)23/h6-9,13H,10-12H2,1-5H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,23,24,22,25,6,7,28,5,21,8,26,9,12,19,11,13,2,27,18,15,20,14,10/E:(1,2,3)(4,5)/rA:28cCCCCCCCCCSCCCONCCNCOCCCCCCBrC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s13;s15;s15;s11;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27BrN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.5961
Area:618.372
Solvation:-2.86325
Coulombic:-40.2891
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:463.432
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.68
LogP (Chemaxon):5.6

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