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Chemical ID: 4575165
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
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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