Chemical ID: 6009533

Cc1c(sc(n1)NC(=O)CN(CCCN2CCOCC2)C(=O)c3cccc(c3)C(F)(F)F)C
Chemical ID:
6009533
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-(3-morpholinopropyl)-3-(trifluoromethyl)benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CCCN2CCOCC2)C(=O)c3cccc(c3)C(F)(F)F)C
InChi [?]:
InChI=1/C22H27F3N4O3S/c1-15-16(2)33-21(26-15)27-19(30)14-29(8-4-7-28-9-11-32-12-10-28)20(31)17-5-3-6-18(13-17)22(23,24)25/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,33,25,13,24,26,14,12,16,20,17,19,28,10,2,3,23,27,8,21,5,29,30,31,32,6,7,15,11,9,22,18,4/E:(9,10)(11,12)(23,24,25)/rA:33nCCCSCNNCOCNCCCNCCOCCCOCCCCCCCFFFC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27F3N4O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.9934
Area:701.586
Solvation:-6.54629
Coulombic:-73.2676
Bond Count [?]
All:35
Single:28
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:484.536
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.02
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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