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Chemical ID: 6033389
Chemical ID:
6033389
Name [?]:
N-[[4-[(4-acetylpiperazin-1-yl)carbonylmethyl]thiazol-2-yl]carbamoylmethyl]-N-cyclopropyl-4-fluoro-benzamide
SMILES [?]:
CC(=O)N1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(C3CC3)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C23H26FN5O4S/c1-15(30)27-8-10-28(11-9-27)21(32)12-18-14-34-23(25-18)26-20(31)13-29(19-6-7-19)22(33)16-2-4-17(24)5-3-16/h2-5,14,19H,6-13H2,1H3,(H,25,26,31)
InChi Info:
AuxInfo=1/1/N:1,29,33,30,32,24,25,5,9,6,8,12,21,14,2,28,31,13,23,19,10,26,16,34,17,18,4,7,22,3,20,11,27,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:34nCCONCCNCCCOCCCSCNNCOCNCCCCOCCCCCCF/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;d13;s14;s15;s13d16;s16;s18;d19;s19;s21;s22;s23;s23s24;s22;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26FN5O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92971 |
Area: | 702.313 |
Solvation: | -7.6281 |
Coulombic: | -73.9832 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 487.548 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 0.7 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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