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Chemical ID: 6883303

Cc1c2c(ncn(c2=O)CC(=O)Nc3ccc(c(c3)Cl)Cl)sc1C(=O)Nc4ccccc4

Chemical ID:

6883303

Name [?]:

3-[(3,4-dichlorophenyl)carbamoylmethyl]-9-methyl-2-oxo-N-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxamide

SMILES [?]:

Cc1c2c(ncn(c2=O)CC(=O)Nc3ccc(c(c3)Cl)Cl)sc1C(=O)Nc4ccccc4

InChi [?]:

InChI=1/C22H16Cl2N4O3S/c1-12-18-21(32-19(12)20(30)27-13-5-3-2-4-6-13)25-11-28(22(18)31)10-17(29)26-14-7-8-15(23)16(24)9-14/h2-9,11H,10H2,1H3,(H,26,29)(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,30,29,31,28,32,15,16,19,10,6,2,27,14,17,18,11,3,23,24,4,8,21,20,5,13,26,7,12,25,9,22/E:(3,4)(5,6)/rA:32nCCCCNCNCOCCONCCCCCCClClSCCONCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s4;d2s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆Cl₂N₄O₃S
All Atoms:	48
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8196
Area:	690.333
Solvation:	-4.43867
Coulombic:	-64.2365

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	487.359
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.87
LogP (Chemaxon):	4.35

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