Chemical ID: 3927840

CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)CC(=O)NCc4ccccc4)C
Chemical ID:
3927840
Name [?]:
N-benzyl-2-[8,8-dimethyl-9-oxo-3-(1-piperidylcarbonyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl]-acetamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)CC(=O)NCc4ccccc4)C
InChi [?]:
InChI=1/C25H29N3O4/c1-25(2)24(31)28(17-22(29)26-16-18-9-5-3-6-10-18)20-15-19(11-12-21(20)32-25)23(30)27-13-7-4-8-14-27/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,32,29,18,28,30,17,19,27,31,9,10,16,20,7,25,21,26,8,6,11,22,13,3,2,24,15,5,23,14,4,12/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:32nCCCONCCCCCCOCONCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;s15s19;s5;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29N3O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.0588
Area:662.087
Solvation:-4.49339
Coulombic:-64.9996
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:435.516
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.72
LogP (Chemaxon):1.91

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