Chemical ID: 7349439

c1ccc(cc1)CNC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
Chemical ID:
7349439
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C26H21N3O2/c30-25(27-15-16-8-2-1-3-9-16)22-14-20-17-10-6-7-13-21(17)28-23(20)24-18-11-4-5-12-19(18)26(31)29(22)24/h1-13,22,24,28H,14-15H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,29,30,16,17,3,5,15,28,31,18,12,7,4,14,27,26,13,19,11,21,22,9,24,8,20,23,10,25/E:(2,3)(8,9)/rA:31cCCCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s21;s11s22;s23;d24;s24;s22s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H21N3O2
All Atoms:52
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:12.0438
Area:617.464
Solvation:-3.39276
Coulombic:-53.17
Bond Count [?]
All:36
Single:24
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:407.464
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.74
LogP (Chemaxon):3.81

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Descriptor Annotations

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