Chemical ID: 4574611

CC(c1ccccc1)N2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3c6cc(ccc6OC)OC
Chemical ID:
4574611
Name [?]:
None
SMILES [?]:
CC(c1ccccc1)N2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3c6cc(ccc6OC)OC
InChi [?]:
InChI=1/C30H29N3O4/c1-18(19-9-5-4-6-10-19)32-17-27(34)33-25(30(32)35)16-22-21-11-7-8-12-24(21)31-28(22)29(33)23-15-20(36-2)13-14-26(23)37-3/h4-15,18,25,29,31H,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,37,35,6,5,7,21,22,4,8,20,23,31,32,29,17,10,2,3,30,19,18,28,24,14,33,11,26,27,15,25,9,13,12,16,36,34/E:(5,6)(9,10)/rA:37cCCCCCCCCNCCONCCOCCCCCCCCNCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;d11;s11;s13;s9s14;d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s13s26;s27;s28;d29;s30;d31;d28s32;s33;s34;s30;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H29N3O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:3
ZAP Information [?]
Total:11.547
Area:691.557
Solvation:-5.74192
Coulombic:-61.161
Bond Count [?]
All:42
Single:30
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:495.569
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.01
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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