Chemical ID: 7264244

CN(CC(=O)Nc1ccccc1SC)CC(=O)Nc2c(cccc2F)F
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

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Descriptor Annotations

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