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Chemical ID: 5915621
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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Experimental Annotations
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Descriptor Annotations
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