Chemical ID: 5896205

CCN(CC)CCNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C4CC4
Chemical ID:
5896205
Name [?]:
5-cyclopropylcarbonylamino-N-(2-diethylaminoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-benzamide
SMILES [?]:
CCN(CC)CCNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C4CC4
InChi [?]:
InChI=1/C28H39N5O3/c1-4-31(5-2)15-14-29-28(35)23-20-22(30-27(34)21-10-11-21)12-13-24(23)32-16-18-33(19-17-32)25-8-6-7-9-26(25)36-3/h6-9,12-13,20-21H,4-5,10-11,14-19H2,1-3H3,(H,29,35)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,5,30,2,4,25,26,24,27,35,36,14,15,7,6,18,22,19,21,12,34,13,11,16,23,28,32,9,8,31,3,17,20,33,10,29/E:(1,2)(4,5)(10,11)(16,17)(18,19)/rA:36nCCNCCCCNCOCCCCCCNCCNCCCCCCCCOCNCOCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s20;s23;d24;s25;d26;d23s27;s28;s29;s13;s31;d32;s32;s34;s34s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H39N5O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.028
Area:789.78
Solvation:-6.71652
Coulombic:-65.5493
Bond Count [?]
All:39
Single:31
Double:8
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:493.641
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.52
LogP (Chemaxon):3.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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