Chemical ID: 6026695

CCNC(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C
Chemical ID:
6026695
Name [?]:
2-(ethylcarbamoyl-(2-morpholinoethyl)amino)-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCNC(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C
InChi [?]:
InChI=1/C24H33FN4O3S/c1-3-26-24(31)28(10-9-27-11-13-32-14-12-27)18-23(30)29(17-22-19(2)8-15-33-22)16-20-4-6-21(25)7-5-20/h4-8,15H,3,9-14,16-18H2,1-2H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,33,2,21,25,22,24,30,8,7,10,14,11,13,31,19,27,15,29,20,23,28,16,4,26,3,9,6,18,17,5,12,32/E:(4,5)(6,7)(11,12)(13,14)/rA:33nCCNCONCCNCCOCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s6;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s18;s27;d28;s29;d30;s28s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33FN4O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.1888
Area:692.207
Solvation:-6.11633
Coulombic:-64.4696
Bond Count [?]
All:35
Single:28
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:476.608
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.47
LogP (Chemaxon):2.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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