Chemical ID: 6033392

c1cc(ccc1CNC(=O)Cc2csc(n2)NC(=O)CN(C3CC3)C(=O)c4ccc(cc4)F)F
Chemical ID:
6033392
Name [?]:
N-cyclopropyl-4-fluoro-N-[[4-[(4-fluorophenyl)methylcarbamoylmethyl]thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
c1cc(ccc1CNC(=O)Cc2csc(n2)NC(=O)CN(C3CC3)C(=O)c4ccc(cc4)F)F
InChi [?]:
InChI=1/C24H22F2N4O3S/c25-17-5-1-15(2-6-17)12-27-21(31)11-19-14-34-24(28-19)29-22(32)13-30(20-9-10-20)23(33)16-3-7-18(26)8-4-16/h1-8,14,20H,9-13H2,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,5,28,32,2,4,29,31,23,24,11,7,20,13,6,27,3,30,12,22,9,18,25,15,34,33,8,16,17,21,10,19,26,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:34nCCCCCCCNCOCCCSCNNCOCNCCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;s21;s22;s22s23;s21;d25;s25;s27;d28;s29;d30;d27s31;s30;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22F2N4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.409
Area:706.744
Solvation:-7.25958
Coulombic:-69.3983
Bond Count [?]
All:37
Single:26
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:484.519
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.0
LogP (Chemaxon):3.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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