Chemical ID: 5915621

CCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccccc3
Chemical ID:
5915621
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C24H26N2O2S/c1-2-15-25(24(28)21-12-7-4-8-13-21)19-23(27)26(18-22-14-9-16-29-22)17-20-10-5-3-6-11-20/h3-14,16H,2,15,17-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,27,12,14,26,28,19,11,15,25,29,18,3,20,9,16,5,10,24,17,6,22,4,8,7,23,21/E:(5,6)(7,8)(10,11)(12,13)/rA:29nCCCNCCONCCCCCCCCCCCCSCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7982
Area:606.786
Solvation:-3.37149
Coulombic:-38.2452
Bond Count [?]
All:31
Single:21
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:406.542
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):4.14

Name Annotations

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Descriptor Annotations

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