Chemical ID: 6041936

CCN(CC)CCCC(C)NC(=O)CCCN1c2ccccc2OCC1=O
Chemical ID:
6041936
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-4-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CCCN1c2ccccc2OCC1=O
InChi [?]:
InChI=1/C21H33N3O3/c1-4-23(5-2)14-8-10-17(3)22-20(25)13-9-15-24-18-11-6-7-12-19(18)27-16-21(24)26/h6-7,11-12,17H,4-5,8-10,13-16H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,10,2,4,20,21,7,15,8,19,22,14,6,16,25,9,18,23,12,26,11,3,17,13,27,24/E:(1,2)(4,5)/rA:27cCCNCCCCCCCNCOCCCNCCCCCCOCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s17s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H33N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.0971
Area:653.237
Solvation:-4.23381
Coulombic:-50.3683
Bond Count [?]
All:28
Single:23
Double:5
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:375.505
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.36
LogP (Chemaxon):1.54

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Descriptor Annotations

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