Chemical ID: 5915533

CC(C)(CCl)C(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C3CCCCC3
Chemical ID:
5915533
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-3-chloro-N-cyclohexyl-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(CCl)C(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C3CCCCC3
InChi [?]:
InChI=1/C25H33ClN2O2S/c1-25(2,19-26)24(30)28(21-12-7-4-8-13-21)18-23(29)27(17-22-14-9-15-31-22)16-20-10-5-3-6-11-20/h3,5-6,9-11,14-15,21H,4,7-8,12-13,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,29,16,18,28,30,23,15,19,27,31,22,24,13,20,9,4,14,26,21,10,6,2,5,12,8,11,7,25/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:31nCCCCClCONCCONCCCCCCCCCCCCSCCCCCC/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s22;d23;s21s24;s8;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H33ClN2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9831
Area:653.258
Solvation:-3.34839
Coulombic:-36.9831
Bond Count [?]
All:33
Single:26
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:461.06
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.57
LogP (Chemaxon):5.18

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Descriptor Annotations

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