Chemical ID: 6811248

CCN(CCNC(=O)C(C)N1c2cc(ccc2OCC1=O)C)c3ccccc3
Chemical ID:
6811248
Name [?]:
N-[2-(ethyl-phenyl-amino)ethyl]-2-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-propanamide
SMILES [?]:
CCN(CCNC(=O)C(C)N1c2cc(ccc2OCC1=O)C)c3ccccc3
InChi [?]:
InChI=1/C22H27N3O3/c1-4-24(18-8-6-5-7-9-18)13-12-23-22(27)17(3)25-19-14-16(2)10-11-20(19)28-15-21(25)26/h5-11,14,17H,4,12-13,15H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,22,10,2,26,25,27,24,28,15,16,5,4,13,19,14,9,23,12,17,20,7,6,3,11,21,8,18/E:(6,7)(8,9)/rA:28cCCNCCNCOCCNCCCCCCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;s3;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O3
All Atoms:55
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:10.9993
Area:619.841
Solvation:-4.49674
Coulombic:-53.2972
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.468
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):3.0

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Descriptor Annotations

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