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Chemical ID: 7330224

CCC(c1ccc(cc1)C)NC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O

Chemical ID:

7330224

Name [?]:

None

SMILES [?]:

CCC(c1ccc(cc1)C)NC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O

InChi [?]:

InChI=1/C22H22N2O3S/c1-3-18(16-12-10-15(2)11-13-16)23-21(25)14-24-19-8-4-6-17-7-5-9-20(22(17)19)28(24,26)27/h4-13,18H,3,14H2,1-2H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,10,2,18,24,19,25,17,23,6,8,5,9,14,7,4,20,3,16,22,12,21,11,15,13,27,28,26/E:(10,11)(12,13)(26,27)/CRV:28.6/rA:28cCCCCCCCCCCNCOCNCCCCCCCCCCSOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s3;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s15s22;d26;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂N₂O₃S
All Atoms:	50
Heavy Atoms:	28
Chiral Atoms:	2

ZAP Information [?]

Total:	10.9128
Area:	585.383
Solvation:	-3.72181
Coulombic:	-30.096

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	394.488
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.72
LogP (Chemaxon):	3.86

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