Chemical ID: 4578267

CCC(C)N1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5ccccc5C
Chemical ID:
4578267
Name [?]:
None
SMILES [?]:
CCC(C)N1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5ccccc5C
InChi [?]:
InChI=1/C25H27N3O2/c1-4-16(3)27-14-22(29)28-21(25(27)30)13-19-18-11-7-8-12-20(18)26-23(19)24(28)17-10-6-5-9-15(17)2/h5-12,16,21,24,26H,4,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,4,2,27,26,17,18,28,25,16,19,13,6,29,3,24,15,14,20,10,7,22,23,11,21,5,9,8,12/rA:30cCCCCNCCONCCOCCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s5s10;d11;s10;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s9s22;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:3
ZAP Information [?]
Total:11.5956
Area:584.436
Solvation:-3.01526
Coulombic:-46.6169
Bond Count [?]
All:34
Single:25
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:401.501
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.62
LogP (Chemaxon):4.0

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Descriptor Annotations

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