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Chemical ID: 6041886
Chemical ID:
6041886
Name [?]:
10-[3-[(4-methyl-1-piperidyl)carbonyl]propyl]-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1CCN(CC1)C(=O)CCCN2c3cc(ccc3OCC2=O)C(C)(C)C
InChi [?]:
InChI=1/C22H32N2O3/c1-16-9-12-23(13-10-16)20(25)6-5-11-24-18-14-17(22(2,3)4)7-8-19(18)27-15-21(24)26/h7-8,14,16H,5-6,9-13,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,26,27,11,10,17,18,3,7,12,4,6,15,21,2,16,14,19,8,22,24,5,13,9,23,20/E:(2,3,4)(9,10)(12,13)/rA:27nCCCCNCCCOCCCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s16;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H32N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3843 |
Area: | 604.805 |
Solvation: | -3.73584 |
Coulombic: | -41.4721 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.501 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.81 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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