Chemical ID: 3927963

CC1(C(=O)N(c2cc(ccc2O1)C(=O)N(CCc3ccccc3)Cc4ccccc4)Cc5cccnc5)C
Chemical ID:
3927963
Name [?]:
N-benzyl-8,8-dimethyl-9-oxo-N-phenethyl-10-(3-pyridylmethyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N(CCc3ccccc3)Cc4ccccc4)Cc5cccnc5)C
InChi [?]:
InChI=1/C32H31N3O3/c1-32(2)31(37)35(23-26-14-9-18-33-21-26)28-20-27(15-16-29(28)38-32)30(36)34(22-25-12-7-4-8-13-25)19-17-24-10-5-3-6-11-24/h3-16,18,20-21H,17,19,22-23H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,38,21,28,20,22,27,29,34,19,23,26,30,33,9,10,17,35,16,7,37,24,31,18,25,32,8,6,11,13,3,2,36,15,5,14,4,12/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:38nCCCONCCCCCCOCONCCCCCCCCCCCCCCCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s15;s24;s25;d26;s27;d28;d25s29;s5;s31;s32;d33;s34;d35;d32s36;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H31N3O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:13.8953
Area:738.349
Solvation:-4.56338
Coulombic:-51.1983
Bond Count [?]
All:42
Single:28
Double:14
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:505.607
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.01
LogP (Chemaxon):4.75

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Descriptor Annotations

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