Chemical ID: 6024510

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCOCC3)C(=O)Cc4cccs4
Chemical ID:
6024510
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]-2-[2-morpholinoethyl-[2-(2-thienyl)acetyl]-amino]-acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCOCC3)C(=O)Cc4cccs4
InChi [?]:
InChI=1/C27H32FN3O3S2/c1-21-8-16-36-25(21)19-31(18-22-4-6-23(28)7-5-22)27(33)20-30(10-9-29-11-13-34-14-12-29)26(32)17-24-3-2-15-35-24/h2-8,15-16H,9-14,17-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,34,33,11,15,12,14,3,22,21,24,28,25,27,35,4,31,9,7,19,2,10,13,32,6,29,17,16,23,20,8,30,18,26,36,5/E:(4,5)(6,7)(11,12)(13,14)/rA:36nCCCCSCCNCCCCCCCFCOCNCCNCCOCCCOCCCCCS/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s20;d29;s29;s31;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32FN3O3S2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.8797
Area:764.15
Solvation:-7.22404
Coulombic:-49.8428
Bond Count [?]
All:39
Single:30
Double:9
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:529.692
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.0
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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