Chemical ID: 4190767

CCC(=O)N1c2ccccc2NC3=C(C1c4cccnc4)C(=O)CC(C3)(C)C
Chemical ID:
4190767
Name [?]:
None
SMILES [?]:
CCC(=O)N1c2ccccc2NC3=C(C1c4cccnc4)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C23H25N3O2/c1-4-20(28)26-18-10-6-5-9-16(18)25-17-12-23(2,3)13-19(27)21(17)22(26)15-8-7-11-24-14-15/h5-11,14,22,25H,4,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,9,8,18,17,10,7,19,26,24,21,16,11,13,6,22,3,14,15,25,20,12,5,23,4/E:(2,3)/rA:28cCCCONCCCCCCNCCCCCCCNCCOCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s5s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;s13s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.19635
Area:529.099
Solvation:-4.03112
Coulombic:-38.4587
Bond Count [?]
All:31
Single:22
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.464
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.83
LogP (Chemaxon):2.54

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