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Chemical ID: 7063130

CC(=O)Nc1ccc(cc1)S(=O)(=O)N2Cc3cccc4c3C(C2)N(CC4)C

Chemical ID:

7063130

Name [?]:

None

SMILES [?]:

CC(=O)Nc1ccc(cc1)S(=O)(=O)N2Cc3cccc4c3C(C2)N(CC4)C

InChi [?]:

InChI=1/C20H23N3O3S/c1-14(24)21-17-6-8-18(9-7-17)27(25,26)23-12-16-5-3-4-15-10-11-22(2)19(13-23)20(15)16/h3-9,19H,10-13H2,1-2H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,27,18,19,17,6,10,7,9,26,25,15,23,2,20,16,5,8,22,21,4,24,14,3,12,13,11/E:(6,7)(8,9)(25,26)/CRV:27.6/rA:27cCCONCCCCCCSOONCCCCCCCCCNCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;s22;s24;s20s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃N₃O₃S
All Atoms:	50
Heavy Atoms:	27
Chiral Atoms:	3

ZAP Information [?]

Total:	10.3557
Area:	562.903
Solvation:	-3.71689
Coulombic:	-32.1675

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	385.481
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.56
LogP (Chemaxon):	2.04

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