Chemical ID: 3927830

CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)Cc4ccccc4)C
Chemical ID:
3927830
Name [?]:
10-benzyl-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)Cc4ccccc4)C
InChi [?]:
InChI=1/C23H26N2O3/c1-23(2)22(27)25(16-17-9-5-3-6-10-17)19-15-18(11-12-20(19)28-23)21(26)24-13-7-4-8-14-24/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,25,18,24,26,17,19,23,27,9,10,16,20,7,21,22,8,6,11,13,3,2,15,5,14,4,12/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:28nCCCONCCCCCCOCONCCCCCCCCCCCCC/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;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0811
Area:573.539
Solvation:-3.25735
Coulombic:-44.8694
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.464
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.55
LogP (Chemaxon):2.98

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Descriptor Annotations

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