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Chemical ID: 7703268
Chemical ID:
7703268
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C31H29ClN2O4/c1-3-36-30-19-24(11-18-29(30)37-21-23-9-14-27(32)15-10-23)20-33-34-31(35)22(2)38-28-16-12-26(13-17-28)25-7-5-4-6-8-25/h4-20,22H,3,21H2,1-2H3,(H,34,35)
InChi Info:
AuxInfo=1/1/N:1,25,2,36,35,37,34,38,13,17,7,29,31,14,16,28,32,8,5,19,11,24,12,6,33,30,15,27,9,4,22,18,20,21,23,3,10,26/E:(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)/rA:38cCCOCCCCCCOCCCCCCCClCNNCOCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s30;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H29ClN2O4 |
All Atoms: | 67 |
Heavy Atoms: | 38 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.6651 |
Area: | 827.599 |
Solvation: | -9.02489 |
Coulombic: | -44.1618 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.46 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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