Chemical ID: 6042669

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)N4CCN(CC4)c5ccccc5OC
Chemical ID:
6042669
Name [?]:
8-(1,1-dimethylpropyl)-5-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-furyl]methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)N4CCN(CC4)c5ccccc5OC
InChi [?]:
InChI=1/C30H35N3O5/c1-5-30(2,3)21-10-12-26-24(18-21)33(28(34)20-37-26)19-22-11-13-27(38-22)29(35)32-16-14-31(15-17-32)23-8-6-7-9-25(23)36-4/h6-13,18H,5,14-17,19-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,5,38,2,33,34,32,35,7,19,8,20,27,29,26,30,11,17,15,6,18,31,10,36,9,21,13,23,3,28,25,12,14,24,37,16,22/E:(2,3)(14,15)(16,17)/rA:38nCCCCCCCCCCCNCOCOCCCCCOCONCCNCCCCCCCCOC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s19;d20;s18s21;s21;d23;s23;s25;s26;s27;s28;s25s29;s28;s31;d32;s33;d34;d31s35;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H35N3O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:11.8457
Area:723.84
Solvation:-6.25026
Coulombic:-66.1652
Bond Count [?]
All:42
Single:32
Double:10
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:517.616
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.87
LogP (Chemaxon):3.96

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Descriptor Annotations

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