Chemical ID: 7347069

CC(c1ccccc1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
Chemical ID:
7347069
Name [?]:
None
SMILES [?]:
CC(c1ccccc1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C27H23N3O2/c1-16(17-9-3-2-4-10-17)28-26(31)23-15-21-18-11-7-8-14-22(18)29-24(21)25-19-12-5-6-13-20(19)27(32)30(23)25/h2-14,16,23,25,29H,15H2,1H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,30,31,17,18,4,8,16,29,32,19,13,2,3,15,28,27,14,20,12,22,23,10,25,9,21,24,11,26/E:(3,4)(9,10)/rA:32cCCCCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s22;s12s23;s24;d25;s25;s23s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23N3O2
All Atoms:55
Heavy Atoms:32
Chiral Atoms:3
ZAP Information [?]
Total:12.3323
Area:631.197
Solvation:-3.44759
Coulombic:-53.2509
Bond Count [?]
All:37
Single:25
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:421.491
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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