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Chemical ID: 6033389

CC(=O)N1CCN(CC1)C(=O)Cc2csc(n2)NC(=O)CN(C3CC3)C(=O)c4ccc(cc4)F

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value