Chemical ID: 4586213

CCN(CC)c1ccc(cc1)C=CC23C(c4ccccc4N2CCC(=O)N3)(C)C
Chemical ID:
4586213
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc(cc1)C=CC23C(c4ccccc4N2CCC(=O)N3)(C)C
InChi [?]:
InChI=1/C25H31N3O/c1-5-27(6-2)20-13-11-19(12-14-20)15-17-25-24(3,4)21-9-7-8-10-22(21)28(25)18-16-23(29)26-25/h7-15,17H,5-6,16,18H2,1-4H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,5,28,29,2,4,18,19,17,20,8,10,7,11,12,24,13,23,9,6,16,21,25,15,14,27,3,22,26/E:(1,2)(3,4)(5,6)(11,12)(13,14)/rA:29cCCNCCCCCCCCCCCCCCCCCCNCCCONCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;s15;s16;d17;s18;d19;d16s20;s14s21;s22;s23;s24;d25;s14s25;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H31N3O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.5892
Area:558.949
Solvation:-3.38455
Coulombic:-35.395
Bond Count [?]
All:32
Single:24
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:389.533
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.98
LogP (Chemaxon):6.3

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Descriptor Annotations

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