Chemical ID: 4435098

Cc1ccccc1C(=O)N2CCCN(CC2)C(=O)c3ccccc3C
Chemical ID:
4435098
Name [?]:
[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-(o-tolyl)methanone
SMILES [?]:
Cc1ccccc1C(=O)N2CCCN(CC2)C(=O)c3ccccc3C
InChi [?]:
InChI=1/C21H24N2O2/c1-16-8-3-5-10-18(16)20(24)22-12-7-13-23(15-14-22)21(25)19-11-6-4-9-17(19)2/h3-6,8-11H,7,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,4,22,5,21,12,3,23,6,20,11,13,16,15,2,24,7,19,8,17,10,14,9,18/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/rA:25nCCCCCCCCONCCCNCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s10s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3007
Area:521.721
Solvation:-2.74228
Coulombic:-36.809
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.428
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):3.01

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Descriptor Annotations

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