Chemical ID: 5915585

CCC(C)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CC3
Chemical ID:
5915585
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-sec-butyl-cyclopropanecarboxamide
SMILES [?]:
CCC(C)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CC3
InChi [?]:
InChI=1/C22H28N2O2S/c1-3-17(2)24(22(26)19-11-12-19)16-21(25)23(15-20-10-7-13-27-20)14-18-8-5-4-6-9-18/h4-10,13,17,19H,3,11-12,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,14,13,15,20,12,16,19,26,27,21,10,17,6,3,11,25,18,7,23,9,5,8,24,22/E:(5,6)(8,9)(11,12)/rA:27cCCCCNCCONCCCCCCCCCCCCSCOCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s5;d23;s23;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.4829
Area:593.335
Solvation:-3.35051
Coulombic:-35.3784
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:384.536
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.1
LogP (Chemaxon):3.51

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Descriptor Annotations

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