Chemical ID: 6319180

CC(C)(C)C1CCc2c(sc(c2C(=O)NC(C)(C)C)NC(=O)c3ccccc3Cl)C1
Chemical ID:
6319180
Name [?]:
2-(2-chlorobenzoyl)amino-N,6-ditert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CC(C)(C)C1CCc2c(sc(c2C(=O)NC(C)(C)C)NC(=O)c3ccccc3Cl)C1
InChi [?]:
InChI=1/C24H31ClN2O2S/c1-23(2,3)14-11-12-16-18(13-14)30-22(19(16)21(29)27-24(4,5)6)26-20(28)15-9-7-8-10-17(15)25/h7-10,14H,11-13H2,1-6H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,19,25,26,24,27,6,7,30,5,23,8,28,9,12,21,13,11,2,16,29,20,15,22,14,10/E:(1,2,3)(4,5,6)/rA:30cCCCCCCCCCSCCCONCCCCNCOCCCCCCClC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s13;s15;s16;s16;s16;s11;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31ClN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.5863
Area:654.987
Solvation:-2.7884
Coulombic:-45.2874
Bond Count [?]
All:32
Single:25
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:447.034
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.66
LogP (Chemaxon):5.91

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Descriptor Annotations

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