Chemical ID: 4582930

COc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccc7c(c6)OCO7
Chemical ID:
4582930
Name [?]:
None
SMILES [?]:
COc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccc7c(c6)OCO7
InChi [?]:
InChI=1/C29H25N3O5/c1-35-23-9-5-3-7-19(23)28-27-20(18-6-2-4-8-21(18)30-27)13-22-29(34)31(15-26(33)32(22)28)14-17-10-11-24-25(12-17)37-16-36-24/h2-12,22,28,30H,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,6,15,5,13,7,16,4,30,31,34,19,28,24,36,29,12,8,11,17,20,3,32,33,22,10,9,26,18,25,21,23,27,2,37,35/rA:37cCOCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;s21;d22;s22;s24;s20s25;d26;s25;s28;s29;d30;s31;d32;d29s33;s33;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H25N3O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:10.5526
Area:670.997
Solvation:-6.22231
Coulombic:-68.9078
Bond Count [?]
All:43
Single:31
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:495.526
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.33
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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