Chemical ID: 6041884

CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCCN3CCCCC3
Chemical ID:
6041884
Name [?]:
4-(4-oxo-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[2-(1-piperidyl)ethyl]butanamide
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCCN3CCCCC3
InChi [?]:
InChI=1/C23H35N3O3/c1-23(2,3)18-9-10-20-19(16-18)26(22(28)17-29-20)14-7-8-21(27)24-11-15-25-12-5-4-6-13-25/h9-10,16H,4-8,11-15,17H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,3,4,27,26,28,17,18,6,7,22,25,29,16,23,10,14,5,9,8,19,12,2,21,24,11,20,13,15/E:(1,2,3)(5,6)(12,13)/rA:29nCCCCCCCCCCNCOCOCCCCONCCNCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;s17;s18;d19;s19;s21;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H35N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2836
Area:665.28
Solvation:-4.34836
Coulombic:-50.51
Bond Count [?]
All:31
Single:26
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.542
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.02
LogP (Chemaxon):2.28

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Descriptor Annotations

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