Chemical ID: 4582102

CN(C)CCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5ccc(cc5)C(=O)OC
Chemical ID:
4582102
Name [?]:
None
SMILES [?]:
CN(C)CCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5ccc(cc5)C(=O)OC
InChi [?]:
InChI=1/C27H30N4O4/c1-29(2)13-6-14-30-16-23(32)31-22(26(30)33)15-20-19-7-4-5-8-21(19)28-24(20)25(31)17-9-11-18(12-10-17)27(34)35-3/h4-5,7-12,22,25,28H,6,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,35,19,20,5,18,21,27,31,28,30,4,6,15,8,26,29,17,16,22,12,9,24,25,13,32,23,2,7,11,10,14,33,34/E:(1,2)(9,10)(11,12)/rA:35cCNCCCCNCCONCCOCCCCCCCCNCCCCCCCCCOOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s9;s11;s7s12;d13;s12;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s11s24;s25;s26;d27;s28;d29;d26s30;s29;d32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N4O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:12.9851
Area:702.562
Solvation:-4.57898
Coulombic:-70.1071
Bond Count [?]
All:39
Single:29
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:474.552
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.09
LogP (Chemaxon):1.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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