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Chemical ID: 7744866

c1cc(cc(c1)Cl)N2CCN(CC2)S(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4

Chemical ID:

7744866

Name [?]:

None

SMILES [?]:

c1cc(cc(c1)Cl)N2CCN(CC2)S(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4

InChi [?]:

InChI=1/C21H22ClN3O3S/c22-17-4-1-5-18(14-17)23-7-9-24(10-8-23)29(27,28)19-11-15-3-2-6-25-20(26)13-16(12-19)21(15)25/h1,4-5,11-12,14H,2-3,6-10,13H2

InChi Info:

AuxInfo=1/0/N:1,28,29,6,2,27,9,13,10,12,18,22,23,4,19,21,5,3,17,24,20,7,8,11,26,25,15,16,14/E:(7,8)(9,10)(27,28)/CRV:29.6/rA:29nCCCCCCClNCCNCCSOOCCCCCCCCONCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s8s12;s11;d14;d14;s14;s17;d18;s19;d20;d17s21;s21;s23;d24;s20s24;s26;s27;s19s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₂ClN₃O₃S
All Atoms:	51
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.2207
Area:	608.216
Solvation:	-3.98466
Coulombic:	-28.7104

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.65
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value