Chemical ID: 3965444

COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
Chemical ID:
3965444
Name [?]:
N-(4-acridin-9-ylamino-3-methoxy-phenyl)methanesulfonamide
SMILES [?]:
COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
InChi [?]:
InChI=1/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,28,13,21,14,22,12,20,15,23,6,7,4,5,11,19,16,18,8,3,10,17,9,24,26,27,2,25/E:(3,4)(5,6)(7,8)(9,10)(15,16)(17,18)(25,26)/CRV:28.6/rA:28nCOCCCCCCNCCCCCCCNCCCCCCNSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;d20;s21;s18d22;s5;s24;d25;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.82696
Area:580.137
Solvation:-4.67646
Coulombic:-34.913
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:393.46
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.42
LogP (Chemaxon):3.04

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Descriptor Annotations

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