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Chemical ID: 4576570
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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