Chemical ID: 6025198

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C3CC3)C(=O)N(C)C
Chemical ID:
6025198
Name [?]:
N-benzyl-2-(cyclopropyl-(dimethylcarbamoyl)amino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C3CC3)C(=O)N(C)C
InChi [?]:
InChI=1/C21H27N3O2S/c1-16-11-12-27-19(16)14-23(13-17-7-5-4-6-8-17)20(25)15-24(18-9-10-18)21(26)22(2)3/h4-8,11-12,18H,9-10,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,13,12,14,11,15,21,22,3,4,9,7,18,2,10,20,6,16,23,25,8,19,17,24,5/E:(2,3)(5,6)(7,8)(9,10)/rA:27nCCCCSCCNCCCCCCCCOCNCCCCONCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s20s21;s19;d23;s23;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7417
Area:562.227
Solvation:-3.31398
Coulombic:-44.1752
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:385.524
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.12
LogP (Chemaxon):2.68

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Descriptor Annotations

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