Chemical ID: 7080781

CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
Chemical ID:
7080781
Name [?]:
None
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
InChi [?]:
InChI=1/C31H31NO5/c1-20(2)16-18-36-25-14-13-22(19-26(25)35-3)28-27-29(33)23-11-7-8-12-24(23)37-30(27)31(34)32(28)17-15-21-9-5-4-6-10-21/h4-14,19-20,28H,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,14,35,34,36,21,22,33,37,20,23,9,8,31,4,30,5,11,2,32,10,19,24,7,12,16,15,17,26,27,29,18,28,13,6,25/E:(1,2)(5,6)(9,10)/rA:37cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H31NO5
All Atoms:68
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:12.5825
Area:767.34
Solvation:-6.60096
Coulombic:-51.9937
Bond Count [?]
All:41
Single:29
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:497.582
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.71
LogP (Chemaxon):5.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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