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Chemical ID: 7080089
Chemical ID:
7080089
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1OCC)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2CCCN(C)C)C)C
InChi [?]:
InChI=1/C30H38N2O5/c1-7-9-15-36-23-12-11-21(18-25(23)35-8-2)27-26-28(33)22-16-19(3)20(4)17-24(22)37-29(26)30(34)32(27)14-10-13-31(5)6/h11-12,16-18,27H,7-10,13-15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,14,37,36,34,35,2,13,3,31,8,7,32,30,4,20,23,10,21,22,9,19,6,24,11,16,15,17,26,27,33,29,18,28,12,5,25/E:(5,6)/rA:37cCCCCOCCCCCCOCCCCCOCCCCCCOCCONCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s9;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;s31;s32;s33;s33;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O5 |
All Atoms: | 75 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3905 |
Area: | 802.645 |
Solvation: | -6.67565 |
Coulombic: | -54.4784 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 506.633 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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