Chemical ID: 3947258

CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC3CCCCC3)CC(=O)NCc4ccccc4)C
Chemical ID:
3947258
Name [?]:
10-(benzylcarbamoylmethyl)-N-cyclohexyl-8,8-dimethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC3CCCCC3)CC(=O)NCc4ccccc4)C
InChi [?]:
InChI=1/C26H31N3O4/c1-26(2)25(32)29(17-23(30)27-16-18-9-5-3-6-10-18)21-15-19(13-14-22(21)33-26)24(31)28-20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16-17H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,33,30,19,29,31,18,20,28,32,17,21,9,10,7,26,22,27,8,16,6,11,23,13,3,2,25,15,5,24,14,4,12/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:33nCCCONCCCCCCOCONCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;s19;s16s20;s5;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.0076
Area:694.42
Solvation:-4.35294
Coulombic:-70.2382
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:449.542
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.55
LogP (Chemaxon):2.52

Name Annotations

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Descriptor Annotations

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