Chemical ID: 6025309

CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)C(C)(C)C
Chemical ID:
6025309
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2,2-dimethyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C23H32N2O2S/c1-6-13-24(22(27)23(3,4)5)17-21(26)25(15-19-10-8-7-9-11-19)16-20-18(2)12-14-28-20/h7-12,14H,6,13,15-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,22,26,27,28,2,13,12,14,11,15,19,3,20,9,16,5,18,10,17,6,23,25,4,8,7,24,21/E:(3,4,5)(8,9)(10,11)/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;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4878
Area:601.79
Solvation:-3.55692
Coulombic:-35.5324
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:400.578
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.32
LogP (Chemaxon):4.73

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Descriptor Annotations

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