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Chemical ID: 6024510
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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