Chemical ID: 4575165

COc1cccc(c1)CN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3c6cccc(c6OC)OC
Chemical ID:
4575165
Name [?]:
None
SMILES [?]:
COc1cccc(c1)CN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3c6cccc(c6OC)OC
InChi [?]:
InChI=1/C30H29N3O5/c1-36-19-9-6-8-18(14-19)16-32-17-26(34)33-24(30(32)35)15-22-20-10-4-5-12-23(20)31-27(22)28(33)21-11-7-13-25(37-2)29(21)38-3/h4-14,24,28,31H,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,38,36,22,23,5,31,6,4,21,30,24,32,8,18,9,11,7,3,20,29,19,25,15,33,12,27,28,34,16,26,10,14,13,17,2,37,35/rA:38cCOCCCCCCCNCCONCCOCCCCCCCCNCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s12;s14;s10s15;d16;s15;s18;s19;s20;d21;s22;d23;d20s24;s25;d19s26;s14s27;s28;s29;d30;s31;d32;d29s33;s34;s35;s33;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H29N3O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:2
ZAP Information [?]
Total:10.075
Area:709.077
Solvation:-7.65192
Coulombic:-67.8408
Bond Count [?]
All:43
Single:31
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:511.568
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.13
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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