Chemical ID: 7735802

Cc1cccc2c1nc(s2)N(CCCN(C)C)C(=O)C(c3ccccc3)c4ccccc4
Chemical ID:
7735802
Name [?]:
None
SMILES [?]:
Cc1cccc2c1nc(s2)N(CCCN(C)C)C(=O)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C27H29N3OS/c1-20-12-10-17-23-25(20)28-27(32-23)30(19-11-18-29(2)3)26(31)24(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-10,12-17,24H,11,18-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,24,30,23,25,29,31,4,13,3,22,26,28,32,5,14,12,2,21,27,6,20,7,18,9,8,15,11,19,10/E:(2,3)(4,5)(6,7,8,9)(13,14,15,16)(21,22)/rA:32nCCCCCCCNCSNCCCNCCCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;s11;s12;s13;s14;s15;s15;s11;d18;s18;s20;s21;d22;s23;d24;d21s25;s20;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29N3OS
All Atoms:61
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:14.0308
Area:674.443
Solvation:-2.83027
Coulombic:-32.314
Bond Count [?]
All:35
Single:24
Double:11
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.96
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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