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Chemical ID: 7337830

CCc1c(sc2c1c(=O)n(c(n2)SCC(=O)Nc3ccc(cc3F)F)c4ccc(cc4C)O)C

Chemical ID:

7337830

Name [?]:

N-(2,4-difluorophenyl)-2-[[7-ethyl-4-(4-hydroxy-2-methyl-phenyl)-8-methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-3-yl]sulfanyl]acetamide

SMILES [?]:

CCc1c(sc2c1c(=O)n(c(n2)SCC(=O)Nc3ccc(cc3F)F)c4ccc(cc4C)O)C

InChi [?]:

InChI=1/C24H21F2N3O3S2/c1-4-16-13(3)34-22-21(16)23(32)29(19-8-6-15(30)9-12(19)2)24(28-22)33-11-20(31)27-18-7-5-14(25)10-17(18)26/h5-10,30H,4,11H2,1-3H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,32,34,2,20,28,19,27,30,22,14,31,4,21,29,3,23,18,26,15,7,6,8,11,25,24,17,12,10,33,16,9,13,5/rA:34nCCCCSCCCONCNSCCONCCCCCCFFCCCCCCCOC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s8;s10;s6d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;s10;s26;d27;s28;d29;d26s30;s31;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁F₂N₃O₃S₂
All Atoms:	55
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0784
Area:	693.506
Solvation:	-5.25922
Coulombic:	-66.4389

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	501.571
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.58
LogP (Chemaxon):	5.37

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