Chemical ID: 3927971

CC1(C(=O)N(c2cc(ccc2O1)C(=O)N(CCc3ccccc3)Cc4ccccc4)CC(=O)c5ccccc5)C
Chemical ID:
3927971
Name [?]:
N-benzyl-8,8-dimethyl-9-oxo-10-phenacyl-N-phenethyl-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)CC(=O)c5ccccc5)C
InChi [?]:
InChI=1/C34H32N2O4/c1-34(2)33(39)36(24-30(37)27-16-10-5-11-17-27)29-22-28(18-19-31(29)40-34)32(38)35(23-26-14-8-4-9-15-26)21-20-25-12-6-3-7-13-25/h3-19,22H,20-21,23-24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,40,21,28,37,20,22,27,29,36,38,19,23,26,30,35,39,9,10,17,16,7,24,31,18,25,34,8,6,32,11,13,3,2,15,5,33,14,4,12/E:(1,2)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:40nCCCONCCCCCCOCONCCCCCCCCCCCCCCCCCOCCCCCCC/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;d32;s32;s34;d35;s36;d37;d34s38;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H32N2O4
All Atoms:40
Heavy Atoms:40
Chiral Atoms:0
ZAP Information [?]
Total:14.6606
Area:782.057
Solvation:-4.89085
Coulombic:-55.7348
Bond Count [?]
All:44
Single:29
Double:15
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:532.629
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.88
LogP (Chemaxon):5.35

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Descriptor Annotations

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