Chemical ID: 3927837

CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)CC(=O)N4CCCC4)C
Chemical ID:
3927837
Name [?]:
8,8-dimethyl-3-(1-piperidylcarbonyl)-10-(pyrrolidin-1-ylcarbonylmethyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)CC(=O)N4CCCC4)C
InChi [?]:
InChI=1/C22H29N3O4/c1-22(2)21(28)25(15-19(26)23-10-6-7-11-23)17-14-16(8-9-18(17)29-22)20(27)24-12-4-3-5-13-24/h8-9,14H,3-7,10-13,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,18,17,19,26,27,9,10,25,28,16,20,7,21,8,6,11,22,13,3,2,24,15,5,23,14,4,12/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:29nCCCONCCCCCCOCONCCCCCCCONCCCCC/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;s24s27;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.594
Area:599.367
Solvation:-4.39016
Coulombic:-58.4371
Bond Count [?]
All:32
Single:26
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.483
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.66
LogP (Chemaxon):0.7

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