Chemical ID: 5915802

CN(C)C(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3cccs3
Chemical ID:
5915802
Name [?]:
N-benzyl-2-(dimethylcarbamoyl-(tetrahydrofuran-2-ylmethyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CN(C)C(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3cccs3
InChi [?]:
InChI=1/C22H29N3O3S/c1-23(2)22(27)25(15-19-10-6-12-28-19)17-21(26)24(16-20-11-7-13-29-20)14-18-8-4-3-5-9-18/h3-5,7-9,11,13,19H,6,10,12,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,22,10,27,19,23,9,26,11,28,17,7,24,13,18,8,25,14,4,2,16,6,15,5,12,29/E:(1,2)(4,5)(8,9)/rA:29cCNCCONCCCCCOCCONCCCCCCCCCCCCS/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s8s11;s6;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.5807
Area:630.931
Solvation:-5.19262
Coulombic:-51.7546
Bond Count [?]
All:31
Single:24
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:415.55
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.78
LogP (Chemaxon):2.05

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Descriptor Annotations

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