Chemical ID: 6030370

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccccn2)C(=O)c3ccc(cc3)F
Chemical ID:
6030370
Name [?]:
4-fluoro-N-isopropyl-N-[[4-(2-pyridylmethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccccn2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C23H24FN5O3S/c1-15(2)29(22(32)16-6-8-17(24)9-7-16)13-21(31)28-23-27-19(14-33-23)11-20(30)26-12-18-5-3-4-10-25-18/h3-10,14-15H,11-13H2,1-2H3,(H,26,30)(H,27,28,31)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,20,28,32,29,31,23,14,18,5,12,2,27,30,19,11,15,6,25,9,33,24,17,10,8,4,16,7,26,13/E:(1,2)(6,7)(8,9)/rA:33nCCCNCCONCNCCSCCONCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s4;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24FN5O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.4565
Area:691.809
Solvation:-6.83873
Coulombic:-70.3242
Bond Count [?]
All:35
Single:24
Double:11
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:469.533
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.01
LogP (Chemaxon):2.45

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Descriptor Annotations

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