Chemical ID: 6025353

CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)CC(C)C
Chemical ID:
6025353
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3-methyl-N-propyl-butanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)CC(C)C
InChi [?]:
InChI=1/C23H32N2O2S/c1-5-12-24(22(26)14-18(2)3)17-23(27)25(15-20-9-7-6-8-10-20)16-21-19(4)11-13-28-21/h6-11,13,18H,5,12,14-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,22,2,13,12,14,11,15,19,3,20,25,9,16,5,26,18,10,17,23,6,4,8,24,7,21/E:(2,3)(7,8)(9,10)/rA:28nCCCNCCONCCCCCCCCCCCCSCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s18;s4;d23;s23;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4169
Area:636.283
Solvation:-3.49014
Coulombic:-35.3875
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:400.578
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.9
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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