Chemical ID: 3927832

CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)Cc4ccc(cc4)F)C
Chemical ID:
3927832
Name [?]:
10-[(4-fluorophenyl)methyl]-8,8-dimethyl-3-(1-piperidylcarbonyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)Cc4ccc(cc4)F)C
InChi [?]:
InChI=1/C23H25FN2O3/c1-23(2)22(28)26(15-16-6-9-18(24)10-7-16)19-14-17(8-11-20(19)29-23)21(27)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,18,17,19,23,27,9,24,26,10,16,20,7,21,22,8,25,6,11,13,3,2,28,15,5,14,4,12/E:(1,2)(4,5)(6,7)(9,10)(12,13)/rA:29nCCCONCCCCCCOCONCCCCCCCCCCCCFC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;s15s19;s5;s21;s22;d23;s24;d25;d22s26;s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25FN2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.5019
Area:580.679
Solvation:-4.01505
Coulombic:-47.9563
Bond Count [?]
All:32
Single:24
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:396.455
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):3.12

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Descriptor Annotations

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