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Chemical ID: 6247379

Cc1cc(no1)NC(=O)CSc2nc3c(c(=O)n2c4ccc(cc4)F)SC(C3)C

Chemical ID:

6247379

Name [?]:

2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]-N-(5-methylisoxazol-3-yl)-acetamide

SMILES [?]:

Cc1cc(no1)NC(=O)CSc2nc3c(c(=O)n2c4ccc(cc4)F)SC(C3)C

InChi [?]:

InChI=1/C19H17FN4O3S2/c1-10-7-15(23-27-10)22-16(25)9-28-19-21-14-8-11(2)29-17(14)18(26)24(19)13-5-3-12(20)4-6-13/h3-7,11H,8-9H2,1-2H3,(H,22,23,25)

InChi Info:

AuxInfo=1/1/N:1,29,21,23,20,24,3,28,10,2,27,22,19,14,4,8,15,16,12,25,13,7,5,18,9,17,6,11,26/E:(3,4)(5,6)/rA:29cCCCCNONCOCSCNCCCONCCCCCCFSCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;s15;d16;s12s16;s18;s19;d20;s21;d22;d19s23;s22;s15;s26;s14s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇FN₄O₃S₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	10.621
Area:	625.369
Solvation:	-5.01324
Coulombic:	-49.8109

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	432.494
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.47
LogP (Chemaxon):	3.49

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value