Chemical ID: 6629767

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)C(C)Oc3cccc4c3cccc4
Chemical ID:
6629767
Name [?]:
[2-methoxy-4-[2-(1-naphthyloxy)propanoylaminoiminomethyl]phenyl] 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)C(C)Oc3cccc4c3cccc4
InChi [?]:
InChI=1/C30H28N2O6/c1-4-36-24-15-13-23(14-16-24)30(34)38-27-17-12-21(18-28(27)35-3)19-31-32-29(33)20(2)37-26-11-7-9-22-8-5-6-10-25(22)26/h5-20H,4H2,1-3H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,27,20,2,37,36,31,38,32,35,30,15,6,8,5,9,14,17,21,26,16,33,7,4,34,29,13,18,24,10,22,23,25,11,19,3,28,12/E:(13,14)(15,16)/rA:38cCCOCCCCCCCOOCCCCCCOCCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;w21;s22;s23;d24;s24;s26;s26;s28;s29;d30;s31;d32;d29s33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H28N2O6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.0081
Area:780.363
Solvation:-8.50099
Coulombic:-62.5781
Bond Count [?]
All:41
Single:27
Double:14
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:512.553
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:6.95
LogP (Chemaxon):5.62

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Descriptor Annotations

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