Chemical ID: 5940742

CCCNC(=O)c1csc(n1)CN(CCC)C(=O)C2CC2c3ccccc3
Chemical ID:
5940742
Name [?]:
2-[[(2-phenylcyclopropyl)carbonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCNC(=O)c1csc(n1)CN(CCC)C(=O)C2CC2c3ccccc3
InChi [?]:
InChI=1/C21H27N3O2S/c1-3-10-22-20(25)18-14-27-19(23-18)13-24(11-4-2)21(26)17-12-16(17)15-8-6-5-7-9-15/h5-9,14,16-17H,3-4,10-13H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,25,24,26,23,27,3,14,20,12,8,22,21,19,7,10,5,17,4,11,13,6,18,9/E:(6,7)(8,9)/rA:27cCCCNCOCCSCNCNCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s10;s12;s13;s14;s15;s13;d17;s17;s19;s19s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.8929
Area:604.051
Solvation:-3.20841
Coulombic:-45.8713
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:385.524
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.64
LogP (Chemaxon):3.0

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