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Chemical ID: 6023470
Chemical ID:
6023470
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-2-methyl-N-(2-morpholinoethyl)propanamide
SMILES [?]:
CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3
InChi [?]:
InChI=1/C24H32FN3O3S/c1-19(2)24(30)27(10-9-26-11-13-31-14-12-26)18-23(29)28(17-22-4-3-15-32-22)16-20-5-7-21(25)8-6-20/h3-8,15,19H,9-14,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,30,29,21,25,22,24,8,7,10,14,11,13,31,19,27,15,2,20,23,28,16,4,26,9,6,18,17,5,12,32/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:32nCCCCONCCNCCOCCCCONCCCCCCCFCCCCCS/rB:s1;s2;s2;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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32FN3O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7121 |
Area: | 674.268 |
Solvation: | -6.14458 |
Coulombic: | -50.6186 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 461.594 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.81 |
LogP (Chemaxon): | 2.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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