Chemical ID: 5733829

CCC(C)(C)c1ccc(cc1)OC(=O)CCN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
Chemical ID:
5733829
Name [?]:
None
SMILES [?]:
CCC(C)(C)c1ccc(cc1)OC(=O)CCN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C32H31NO4/c1-4-32(2,3)19-13-15-20(16-14-19)37-25(34)17-18-33-30(35)28-26-21-9-5-6-10-22(21)27(29(28)31(33)36)24-12-8-7-11-23(24)26/h5-16,26-29H,4,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,24,25,35,36,23,26,34,37,7,11,8,10,15,16,6,9,22,27,33,32,13,21,28,20,29,18,30,3,17,14,19,31,12/E:(2,3)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(21,22,23,24)(26,27)(28,29)(30,31)(35,36)/rA:37cCCCCCCCCCCCOCOCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s20s28;s17s29;d30;s28;s21s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H31NO4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:14.0344
Area:723.593
Solvation:-4.0554
Coulombic:-45.3532
Bond Count [?]
All:42
Single:30
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:493.593
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.4
LogP (Chemaxon):5.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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