Chemical ID: 4571254

COc1ccc(cc1OC)CCN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3CCc6ccccc6
Chemical ID:
4571254
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)CCN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3CCc6ccccc6
InChi [?]:
InChI=1/C32H33N3O4/c1-38-28-15-13-22(18-29(28)39-2)16-17-34-20-30(36)35-26(14-12-21-8-4-3-5-9-21)31-24(19-27(35)32(34)37)23-10-6-7-11-25(23)33-31/h3-11,13,15,18,26-27,33H,12,14,16-17,19-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,37,36,38,25,26,35,39,24,27,33,5,32,4,11,12,7,21,14,34,6,23,22,28,31,18,3,8,15,30,19,29,13,17,16,20,2,9/E:(4,5)(8,9)/rA:39cCOCCCCCCOCCCNCCONCCOCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;d15;s15;s17;s13s18;d19;s18;s21;s22;s23;d24;s25;d26;d23s27;s28;d22s29;s17s30;s31;s32;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H33N3O4
All Atoms:39
Heavy Atoms:39
Chiral Atoms:2
ZAP Information [?]
Total:12.1451
Area:758.155
Solvation:-6.80881
Coulombic:-61.1749
Bond Count [?]
All:44
Single:32
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:523.622
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.13
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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