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Chemical ID: 7264244
Chemical ID:
7264244
Name [?]:
2-[(2,6-difluorophenyl)carbamoylmethyl-methyl-amino]-N-(2-methylsulfanylphenyl)-acetamide
SMILES [?]:
CN(CC(=O)Nc1ccccc1SC)CC(=O)Nc2c(cccc2F)F
InChi [?]:
InChI=1/C18H19F2N3O2S/c1-23(10-16(24)21-14-8-3-4-9-15(14)26-2)11-17(25)22-18-12(19)6-5-7-13(18)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,14,9,10,22,21,23,8,11,3,15,20,24,7,12,4,16,19,26,25,6,18,2,5,17,13/E:(6,7)(12,13)(19,20)/rA:26cCNCCONCCCCCCSCCCONCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s2;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19F2N3O2S |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.74211 |
Area: | 579.82 |
Solvation: | -6.75338 |
Coulombic: | -52.9042 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 379.425 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.6 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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