Chemical ID: 6042609

CCN(CC)CCCC(C)NC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
Chemical ID:
6042609
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-5-[(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
InChi [?]:
InChI=1/C27H39N3O4/c1-7-29(8-2)15-9-10-19(3)28-26(32)24-14-12-21(34-24)17-30-22-16-20(27(4,5)6)11-13-23(22)33-18-25(30)31/h11-14,16,19H,7-10,15,17-18H2,1-6H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,5,10,32,33,34,2,4,7,8,24,16,25,15,6,22,19,28,9,23,17,21,26,14,29,12,31,11,3,20,30,13,27,18/E:(1,2)(4,5,6)(7,8)/rA:34cCCNCCCCCCCNCOCCCCOCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s27;s20s28;d29;s23;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H39N3O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.6346
Area:731.018
Solvation:-4.6408
Coulombic:-61.359
Bond Count [?]
All:36
Single:29
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:469.616
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.31
LogP (Chemaxon):2.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue