Chemical ID: 4576570

CCOc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccc7c(c6)OCO7
Chemical ID:
4576570
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccc7c(c6)OCO7
InChi [?]:
InChI=1/C30H27N3O5/c1-2-36-24-10-6-4-8-20(24)29-28-21(19-7-3-5-9-22(19)31-28)14-23-30(35)32(16-27(34)33(23)29)15-18-11-12-25-26(13-18)38-17-37-25/h3-13,23,29,31H,2,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,7,16,6,14,8,17,5,31,32,35,20,29,25,37,30,13,9,12,18,21,4,33,34,23,11,10,27,19,26,22,24,28,3,38,36/rA:38cCCOCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s12;s20;s10s21;s22;d23;s23;s25;s21s26;d27;s26;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H27N3O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:2
ZAP Information [?]
Total:11.2392
Area:694.612
Solvation:-6.12608
Coulombic:-69.166
Bond Count [?]
All:44
Single:32
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:509.553
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.75
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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